tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C45H50N18O4 — CID 157064935

IUPACtert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2NC(=O)c2cnn3cccnc23)nc1.Cc1ccc(-n2nc(N3CCNCC3)cc2NC(=O)c2cnn3cccnc23)nc1
InChIInChI=1S/C25H29N9O3.C20H21N9O/c1-17-6-7-19(27-15-17)34-20(29-23(35)18-16-28-33-9-5-8-26-22(18)33)14-21(30-34)31-10-12-32(13-11-31)24(36)37-25(2,3)4;1-14-3-4-16(23-12-14)29-17(11-18(26-29)27-9-6-21-7-10-27)25-20(30)15-13-24-28-8-2-5-22-19(15)28/h5-9,14-16H,10-13H2,1-4H3,(H,29,35);2-5,8,11-13,21H,6-7,9-10H2,1H3,(H,25,30)
InChIKeyABTNFJXAWWFKTO-UHFFFAOYSA-N
MW907.02 g/mol
LogP4.21
Rot. Bonds8

About tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 157064935) has the molecular formula C45H50N18O4 and a molecular weight of 907.02 g/mol. Its IUPAC name is tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Nametert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID157064935
Molecular FormulaC45H50N18O4
Molecular Weight907.02 g/mol
Exact Mass906.43
IUPAC Nametert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2NC(=O)c2cnn3cccnc23)nc1.Cc1ccc(-n2nc(N3CCNCC3)cc2NC(=O)c2cnn3cccnc23)nc1
InChIInChI=1S/C25H29N9O3.C20H21N9O/c1-17-6-7-19(27-15-17)34-20(29-23(35)18-16-28-33-9-5-8-26-22(18)33)14-21(30-34)31-10-12-32(13-11-31)24(36)37-25(2,3)4;1-14-3-4-16(23-12-14)29-17(11-18(26-29)27-9-6-21-7-10-27)25-20(30)15-13-24-28-8-2-5-22-19(15)28/h5-9,14-16H,10-13H2,1-4H3,(H,29,35);2-5,8,11-13,21H,6-7,9-10H2,1H3,(H,25,30)
InChIKeyABTNFJXAWWFKTO-UHFFFAOYSA-N
XLogP4.21
TPSA228.05 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.02
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66557142
N-[3-(4-cycloheptylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66557143
N-[1-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylpiperazin-1-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328491
N-(3-(4-Methylpiperazin-1-yl)-1-(5-methylpyridin-2-yl)-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68357884
N-[3-(4-cyclobutylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90271957
N-[1-(5-cyclopropyl-2-pyridinyl)-3-(4-methylpiperazin-1-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66556462
N-[3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328946
N-[3-(4-cyclopentylpiperazin-1-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328953
Ethyl 4-[4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperidin-1-yl]piperidine-1-carboxylate
CID 68357949
N-[3-[4-(2-methylpropyl)piperazin-1-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68357961
N-[1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68357965
N-[3-[1-(1-cyclopropylpiperidin-4-yl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68357978

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 157064935) is tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2NC(=O)c2cnn3cccnc23)nc1.Cc1ccc(-n2nc(N3CCNCC3)cc2NC(=O)c2cnn3cccnc23)nc1.
What is the InChIKey of tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ABTNFJXAWWFKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9O3.C20H21N9O/c1-17-6-7-19(27-15-17)34-20(29-23(35)18-16-28-33-9-5-8-26-22(18)33)14-21(30-34)31-10-12-32(13-11-31)24(36)37-25(2,3)4;1-14-3-4-16(23-12-14)29-17(11-18(26-29)27-9-6-21-7-10-27)25-20(30)15-13-24-28-8-2-5-22-19(15)28/h5-9,14-16H,10-13H2,1-4H3,(H,29,35);2-5,8,11-13,21H,6-7,9-10H2,1H3,(H,25,30).
What are the key properties of tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 907.02 g/mol, XLogP of 4.21, 8 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-carboxylate;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 157064935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).