2-amino-N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;1-(3,5-diamino-1H-pyrazol-4-yl)ethanone;ethyl 2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C76H89ClN26O11 — CID 157206040

IUPAC2-amino-N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;1-(3,5-diamino-1H-pyrazol-4-yl)ethanone;ethyl 2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCC(=O)c1c(N)n[nH]c1N.CC(C)c1ccn2nc(N)c(C(=O)O)c2n1.CC(C)c1ccnc2c(C(=O)N[C@@H](C)c3cc4cccc(Cl)c4c(=O)n3-c3ccccc3)c(N)nn12.CC(C)c1ccnc2c(C(=O)O)c(N)nn12.CCOC(=O)c1c(N)nn2c(C(C)C)ccnc12.CCOC(=O)c1c(N)nn2ccc(C(C)C)nc12
InChIInChI=1S/C27H25ClN6O2.2C12H16N4O2.2C10H12N4O2.C5H8N4O/c1-15(2)20-12-13-30-25-23(24(29)32-34(20)25)26(35)31-16(3)21-14-17-8-7-11-19(28)22(17)27(36)33(21)18-9-5-4-6-10-18;1-4-18-12(17)9-10(13)15-16-6-5-8(7(2)3)14-11(9)16;1-4-18-12(17)9-10(13)15-16-8(7(2)3)5-6-14-11(9)16;1-5(2)6-3-4-14-9(12-6)7(10(15)16)8(11)13-14;1-5(2)6-3-4-12-9-7(10(15)16)8(11)13-14(6)9;1-2(10)3-4(6)8-9-5(3)7/h4-16H,1-3H3,(H2,29,32)(H,31,35);2*5-7H,4H2,1-3H3,(H2,13,15);2*3-5H,1-2H3,(H2,11,13)(H,15,16);1H3,(H5,6,7,8,9)/t16-;;;;;/m0...../s1
InChIKeyARJGUDHQDSBVTA-KVDBKFDSSA-N
MW1578.17 g/mol
LogP10.15
Rot. Bonds16

About 2-amino-N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;1-(3,5-diamino-1H-pyrazol-4-yl)ethanone;ethyl 2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate

2-amino-N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;1-(3,5-diamino-1H-pyrazol-4-yl)ethanone;ethyl 2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 157206040) has the molecular formula C76H89ClN26O11 and a molecular weight of 1578.17 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;1-(3,5-diamino-1H-pyrazol-4-yl)ethanone;ethyl 2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;1-(3,5-diamino-1H-pyrazol-4-yl)ethanone;ethyl 2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID157206040
Molecular FormulaC76H89ClN26O11
Molecular Weight1578.17 g/mol
Exact Mass1576.69
IUPAC Name2-amino-N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;1-(3,5-diamino-1H-pyrazol-4-yl)ethanone;ethyl 2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCC(=O)c1c(N)n[nH]c1N.CC(C)c1ccn2nc(N)c(C(=O)O)c2n1.CC(C)c1ccnc2c(C(=O)N[C@@H](C)c3cc4cccc(Cl)c4c(=O)n3-c3ccccc3)c(N)nn12.CC(C)c1ccnc2c(C(=O)O)c(N)nn12.CCOC(=O)c1c(N)nn2c(C(C)C)ccnc12.CCOC(=O)c1c(N)nn2ccc(C(C)C)nc12
InChIInChI=1S/C27H25ClN6O2.2C12H16N4O2.2C10H12N4O2.C5H8N4O/c1-15(2)20-12-13-30-25-23(24(29)32-34(20)25)26(35)31-16(3)21-14-17-8-7-11-19(28)22(17)27(36)33(21)18-9-5-4-6-10-18;1-4-18-12(17)9-10(13)15-16-6-5-8(7(2)3)14-11(9)16;1-4-18-12(17)9-10(13)15-16-8(7(2)3)5-6-14-11(9)16;1-5(2)6-3-4-14-9(12-6)7(10(15)16)8(11)13-14;1-5(2)6-3-4-12-9-7(10(15)16)8(11)13-14(6)9;1-2(10)3-4(6)8-9-5(3)7/h4-16H,1-3H3,(H2,29,32)(H,31,35);2*5-7H,4H2,1-3H3,(H2,13,15);2*3-5H,1-2H3,(H2,11,13)(H,15,16);1H3,(H5,6,7,8,9)/t16-;;;;;/m0...../s1
InChIKeyARJGUDHQDSBVTA-KVDBKFDSSA-N
XLogP10.15
TPSA557.14 Ų
H-Bond Donors11
H-Bond Acceptors33
Rotatable Bonds16
Heavy Atoms114
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001578.17
LogP ≤ 510.15
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1033

Analyze 2-amino-N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;1-(3,5-diamino-1H-pyrazol-4-yl)ethanone;ethyl 2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;1-(3,5-diamino-1H-pyrazol-4-yl)ethanone;ethyl 2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of 2-amino-N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;1-(3,5-diamino-1H-pyrazol-4-yl)ethanone;ethyl 2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 157206040) is 2-amino-N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;1-(3,5-diamino-1H-pyrazol-4-yl)ethanone;ethyl 2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for 2-amino-N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;1-(3,5-diamino-1H-pyrazol-4-yl)ethanone;ethyl 2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for 2-amino-N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;1-(3,5-diamino-1H-pyrazol-4-yl)ethanone;ethyl 2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate is CC(=O)c1c(N)n[nH]c1N.CC(C)c1ccn2nc(N)c(C(=O)O)c2n1.CC(C)c1ccnc2c(C(=O)N[C@@H](C)c3cc4cccc(Cl)c4c(=O)n3-c3ccccc3)c(N)nn12.CC(C)c1ccnc2c(C(=O)O)c(N)nn12.CCOC(=O)c1c(N)nn2c(C(C)C)ccnc12.CCOC(=O)c1c(N)nn2ccc(C(C)C)nc12.
What is the InChIKey of 2-amino-N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;1-(3,5-diamino-1H-pyrazol-4-yl)ethanone;ethyl 2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is ARJGUDHQDSBVTA-KVDBKFDSSA-N. The full InChI is InChI=1S/C27H25ClN6O2.2C12H16N4O2.2C10H12N4O2.C5H8N4O/c1-15(2)20-12-13-30-25-23(24(29)32-34(20)25)26(35)31-16(3)21-14-17-8-7-11-19(28)22(17)27(36)33(21)18-9-5-4-6-10-18;1-4-18-12(17)9-10(13)15-16-6-5-8(7(2)3)14-11(9)16;1-4-18-12(17)9-10(13)15-16-8(7(2)3)5-6-14-11(9)16;1-5(2)6-3-4-14-9(12-6)7(10(15)16)8(11)13-14;1-5(2)6-3-4-12-9-7(10(15)16)8(11)13-14(6)9;1-2(10)3-4(6)8-9-5(3)7/h4-16H,1-3H3,(H2,29,32)(H,31,35);2*5-7H,4H2,1-3H3,(H2,13,15);2*3-5H,1-2H3,(H2,11,13)(H,15,16);1H3,(H5,6,7,8,9)/t16-;;;;;/m0...../s1.
What are the key properties of 2-amino-N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;1-(3,5-diamino-1H-pyrazol-4-yl)ethanone;ethyl 2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
2-amino-N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;1-(3,5-diamino-1H-pyrazol-4-yl)ethanone;ethyl 2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 1578.17 g/mol, XLogP of 10.15, 16 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;1-(3,5-diamino-1H-pyrazol-4-yl)ethanone;ethyl 2-amino-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 2-amino-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 157206040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).