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

C24H23N9O2S2 — CID 164547114

IUPACN-[5-[[2-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(NC(=O)CN2CCc3ncsc3C2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12
InChIInChI=1S/C24H23N9O2S2/c1-14-19(5-16(7-25-14)29-22(34)12-32-4-3-18-21(10-32)36-13-26-18)30-23(35)17-8-28-33-11-20(37-24(17)33)15-6-27-31(2)9-15/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,29,34)(H,30,35)
InChIKeyBBWSJTGOHGIPGB-UHFFFAOYSA-N
MW533.64 g/mol
LogP3.21
Rot. Bonds6

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

N-[5-[[2-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547114) has the molecular formula C24H23N9O2S2 and a molecular weight of 533.64 g/mol. Its IUPAC name is N-[5-[[2-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547114
Molecular FormulaC24H23N9O2S2
Molecular Weight533.64 g/mol
Exact Mass533.14
IUPAC NameN-[5-[[2-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(NC(=O)CN2CCc3ncsc3C2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12
InChIInChI=1S/C24H23N9O2S2/c1-14-19(5-16(7-25-14)29-22(34)12-32-4-3-18-21(10-32)36-13-26-18)30-23(35)17-8-28-33-11-20(37-24(17)33)15-6-27-31(2)9-15/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,29,34)(H,30,35)
InChIKeyBBWSJTGOHGIPGB-UHFFFAOYSA-N
XLogP3.21
TPSA122.34 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.64
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[5-[[2-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)acetyl]amino]-2-methyl-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-[5-[[2-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of N-[5-[[2-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547114) is N-[5-[[2-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-[5-[[2-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-[5-[[2-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(NC(=O)CN2CCc3ncsc3C2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12.
What is the InChIKey of N-[5-[[2-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is BBWSJTGOHGIPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N9O2S2/c1-14-19(5-16(7-25-14)29-22(34)12-32-4-3-18-21(10-32)36-13-26-18)30-23(35)17-8-28-33-11-20(37-24(17)33)15-6-27-31(2)9-15/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,29,34)(H,30,35).
What are the key properties of N-[5-[[2-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-[5-[[2-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 533.64 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).