5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1R)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1S)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;2-[4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]pyridine-3-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

C118H120N42O5 — CID 158278140

IUPAC5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1R)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1S)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;2-[4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]pyridine-3-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)c(C#N)c(N3CCN(c4ccccn4)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)c(C#N)c(N3CCN(c4ncccc4C#N)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)c(C#N)c(N[C@@H](C)C3CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)c(C#N)c(N[C@H](C)C3CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(N3CCN(c4ncccc4C#N)CC3)nc12
InChIInChI=1S/C26H24N10O.2C25H25N9O.2C21H23N7O/c1-16-18(12-22(37)31-16)11-19-15-30-36-24(19)33-25(21(14-28)26(36)32-20-4-5-20)35-9-7-34(8-10-35)23-17(13-27)3-2-6-29-23;1-16-18(12-23(35)29-16)11-19-15-28-34-22(30-20-4-5-20)13-21(31-25(19)34)32-7-9-33(10-8-32)24-17(14-26)3-2-6-27-24;1-16-17(13-22(35)29-16)12-18-15-28-34-23(18)31-24(20(14-26)25(34)30-19-5-6-19)33-10-8-32(9-11-33)21-4-2-3-7-27-21;2*1-11(13-3-4-13)25-19-17(9-22)21(26-16-5-6-16)28-20(27-19)15(10-23-28)7-14-8-18(29)24-12(14)2/h2-3,6,11,15,20,32H,1,4-5,7-10,12H2,(H,31,37);2-3,6,11,13,15,20,30H,1,4-5,7-10,12H2,(H,29,35);2-4,7,12,15,19,30H,1,5-6,8-11,13H2,(H,29,35);2*7,10-11,13,16,26H,2-6,8H2,1H3,(H,24,29)(H,25,27)/b2*18-11+;17-12+;2*14-7+/t;;;2*11-/m...10/s1
InChIKeyGJWILHJZKFXWME-UGPHBZIHSA-N
MW2206.55 g/mol
LogP12.42
Rot. Bonds27

About 5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1R)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1S)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;2-[4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]pyridine-3-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1R)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1S)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;2-[4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]pyridine-3-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 158278140) has the molecular formula C118H120N42O5 and a molecular weight of 2206.55 g/mol. Its IUPAC name is 5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1R)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1S)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;2-[4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]pyridine-3-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1R)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1S)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;2-[4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]pyridine-3-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID158278140
Molecular FormulaC118H120N42O5
Molecular Weight2206.55 g/mol
Exact Mass2205.04
IUPAC Name5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1R)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1S)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;2-[4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]pyridine-3-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)c(C#N)c(N3CCN(c4ccccn4)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)c(C#N)c(N3CCN(c4ncccc4C#N)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)c(C#N)c(N[C@@H](C)C3CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)c(C#N)c(N[C@H](C)C3CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(N3CCN(c4ncccc4C#N)CC3)nc12
InChIInChI=1S/C26H24N10O.2C25H25N9O.2C21H23N7O/c1-16-18(12-22(37)31-16)11-19-15-30-36-24(19)33-25(21(14-28)26(36)32-20-4-5-20)35-9-7-34(8-10-35)23-17(13-27)3-2-6-29-23;1-16-18(12-23(35)29-16)11-19-15-28-34-22(30-20-4-5-20)13-21(31-25(19)34)32-7-9-33(10-8-32)24-17(14-26)3-2-6-27-24;1-16-17(13-22(35)29-16)12-18-15-28-34-23(18)31-24(20(14-26)25(34)30-19-5-6-19)33-10-8-32(9-11-33)21-4-2-3-7-27-21;2*1-11(13-3-4-13)25-19-17(9-22)21(26-16-5-6-16)28-20(27-19)15(10-23-28)7-14-8-18(29)24-12(14)2/h2-3,6,11,15,20,32H,1,4-5,7-10,12H2,(H,31,37);2-3,6,11,13,15,20,30H,1,4-5,7-10,12H2,(H,29,35);2-4,7,12,15,19,30H,1,5-6,8-11,13H2,(H,29,35);2*7,10-11,13,16,26H,2-6,8H2,1H3,(H,24,29)(H,25,27)/b2*18-11+;17-12+;2*14-7+/t;;;2*11-/m...10/s1
InChIKeyGJWILHJZKFXWME-UGPHBZIHSA-N
XLogP12.42
TPSA581.51 Ų
H-Bond Donors12
H-Bond Acceptors42
Rotatable Bonds27
Heavy Atoms165
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002206.55
LogP ≤ 512.42
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1042

Analyze 5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1R)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1S)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;2-[4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]pyridine-3-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1R)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1S)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;2-[4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]pyridine-3-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1R)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1S)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;2-[4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]pyridine-3-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 158278140) is 5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1R)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1S)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;2-[4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]pyridine-3-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1R)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1S)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;2-[4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]pyridine-3-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1R)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1S)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;2-[4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]pyridine-3-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile is C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)c(C#N)c(N3CCN(c4ccccn4)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)c(C#N)c(N3CCN(c4ncccc4C#N)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)c(C#N)c(N[C@@H](C)C3CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)c(C#N)c(N[C@H](C)C3CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(N3CCN(c4ncccc4C#N)CC3)nc12.
What is the InChIKey of 5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1R)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1S)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;2-[4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]pyridine-3-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is GJWILHJZKFXWME-UGPHBZIHSA-N. The full InChI is InChI=1S/C26H24N10O.2C25H25N9O.2C21H23N7O/c1-16-18(12-22(37)31-16)11-19-15-30-36-24(19)33-25(21(14-28)26(36)32-20-4-5-20)35-9-7-34(8-10-35)23-17(13-27)3-2-6-29-23;1-16-18(12-23(35)29-16)11-19-15-28-34-22(30-20-4-5-20)13-21(31-25(19)34)32-7-9-33(10-8-32)24-17(14-26)3-2-6-27-24;1-16-17(13-22(35)29-16)12-18-15-28-34-23(18)31-24(20(14-26)25(34)30-19-5-6-19)33-10-8-32(9-11-33)21-4-2-3-7-27-21;2*1-11(13-3-4-13)25-19-17(9-22)21(26-16-5-6-16)28-20(27-19)15(10-23-28)7-14-8-18(29)24-12(14)2/h2-3,6,11,15,20,32H,1,4-5,7-10,12H2,(H,31,37);2-3,6,11,13,15,20,30H,1,4-5,7-10,12H2,(H,29,35);2-4,7,12,15,19,30H,1,5-6,8-11,13H2,(H,29,35);2*7,10-11,13,16,26H,2-6,8H2,1H3,(H,24,29)(H,25,27)/b2*18-11+;17-12+;2*14-7+/t;;;2*11-/m...10/s1.
What are the key properties of 5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1R)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1S)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;2-[4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]pyridine-3-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1R)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1S)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;2-[4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]pyridine-3-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 2206.55 g/mol, XLogP of 12.42, 27 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1R)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1S)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;2-[4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]pyridine-3-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 158278140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).