N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(1-methylpyrrolidin-3-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide

C20H19FN6OS — CID 170747778

IUPACN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(1-methylpyrrolidin-3-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESCc1cn2cc(NC(=O)c3nc4ccc(C5CCN(C)C5)nc4s3)cc(F)c2n1
InChIInChI=1S/C20H19FN6OS/c1-11-8-27-10-13(7-14(21)17(27)22-11)23-18(28)20-25-16-4-3-15(24-19(16)29-20)12-5-6-26(2)9-12/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H,23,28)
InChIKeyCHKHBANJQYOGQB-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.46
Rot. Bonds3

About N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(1-methylpyrrolidin-3-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(1-methylpyrrolidin-3-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide (PubChem CID 170747778) has the molecular formula C20H19FN6OS and a molecular weight of 410.48 g/mol. Its IUPAC name is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(1-methylpyrrolidin-3-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(1-methylpyrrolidin-3-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
PubChem CID170747778
Molecular FormulaC20H19FN6OS
Molecular Weight410.48 g/mol
Exact Mass410.13
IUPAC NameN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(1-methylpyrrolidin-3-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESCc1cn2cc(NC(=O)c3nc4ccc(C5CCN(C)C5)nc4s3)cc(F)c2n1
InChIInChI=1S/C20H19FN6OS/c1-11-8-27-10-13(7-14(21)17(27)22-11)23-18(28)20-25-16-4-3-15(24-19(16)29-20)12-5-6-26(2)9-12/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H,23,28)
InChIKeyCHKHBANJQYOGQB-UHFFFAOYSA-N
XLogP3.46
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(1-methylpyrrolidin-3-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide?
The IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(1-methylpyrrolidin-3-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide (CID 170747778) is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(1-methylpyrrolidin-3-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(1-methylpyrrolidin-3-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide?
The canonical SMILES for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(1-methylpyrrolidin-3-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide is Cc1cn2cc(NC(=O)c3nc4ccc(C5CCN(C)C5)nc4s3)cc(F)c2n1.
What is the InChIKey of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(1-methylpyrrolidin-3-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide?
The InChIKey is CHKHBANJQYOGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6OS/c1-11-8-27-10-13(7-14(21)17(27)22-11)23-18(28)20-25-16-4-3-15(24-19(16)29-20)12-5-6-26(2)9-12/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H,23,28).
What are the key properties of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(1-methylpyrrolidin-3-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide?
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(1-methylpyrrolidin-3-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(1-methylpyrrolidin-3-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide is sourced from PubChem (CID 170747778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).