N-[2-methyl-5-[[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C25H26N10O2S — CID 164547208

IUPACN-[2-methyl-5-[[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(NC(=O)CN2CCc3c(cnn3C)C2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12
InChIInChI=1S/C25H26N10O2S/c1-15-20(31-24(37)19-10-29-35-13-22(38-25(19)35)17-8-27-32(2)11-17)6-18(9-26-15)30-23(36)14-34-5-4-21-16(12-34)7-28-33(21)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,30,36)(H,31,37)
InChIKeyZHEXXVKYXJHEJL-UHFFFAOYSA-N
MW530.62 g/mol
LogP2.48
Rot. Bonds6

About N-[2-methyl-5-[[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[2-methyl-5-[[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547208) has the molecular formula C25H26N10O2S and a molecular weight of 530.62 g/mol. Its IUPAC name is N-[2-methyl-5-[[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547208
Molecular FormulaC25H26N10O2S
Molecular Weight530.62 g/mol
Exact Mass530.20
IUPAC NameN-[2-methyl-5-[[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(NC(=O)CN2CCc3c(cnn3C)C2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12
InChIInChI=1S/C25H26N10O2S/c1-15-20(31-24(37)19-10-29-35-13-22(38-25(19)35)17-8-27-32(2)11-17)6-18(9-26-15)30-23(36)14-34-5-4-21-16(12-34)7-28-33(21)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,30,36)(H,31,37)
InChIKeyZHEXXVKYXJHEJL-UHFFFAOYSA-N
XLogP2.48
TPSA127.27 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.62
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[2-methyl-5-[[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of N-[2-methyl-5-[[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547208) is N-[2-methyl-5-[[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-[2-methyl-5-[[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(NC(=O)CN2CCc3c(cnn3C)C2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12.
What is the InChIKey of N-[2-methyl-5-[[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is ZHEXXVKYXJHEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N10O2S/c1-15-20(31-24(37)19-10-29-35-13-22(38-25(19)35)17-8-27-32(2)11-17)6-18(9-26-15)30-23(36)14-34-5-4-21-16(12-34)7-28-33(21)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,30,36)(H,31,37).
What are the key properties of N-[2-methyl-5-[[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-[2-methyl-5-[[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 530.62 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).