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

C21H22FN7OS — CID 170747701

IUPAC5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESCc1cn2cc(NC(=O)c3nc4ccc(N5CC[C@@H](N(C)C)C5)nc4s3)cc(F)c2n1
InChIInChI=1S/C21H22FN7OS/c1-12-9-29-10-13(8-15(22)18(29)23-12)24-19(30)21-25-16-4-5-17(26-20(16)31-21)28-7-6-14(11-28)27(2)3/h4-5,8-10,14H,6-7,11H2,1-3H3,(H,24,30)/t14-/m1/s1
InChIKeyWEHZVZPMHJULGY-CQSZACIVSA-N
MW439.52 g/mol
LogP3.18
Rot. Bonds4

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

5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide (PubChem CID 170747701) has the molecular formula C21H22FN7OS and a molecular weight of 439.52 g/mol. Its IUPAC name is 5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
PubChem CID170747701
Molecular FormulaC21H22FN7OS
Molecular Weight439.52 g/mol
Exact Mass439.16
IUPAC Name5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESCc1cn2cc(NC(=O)c3nc4ccc(N5CC[C@@H](N(C)C)C5)nc4s3)cc(F)c2n1
InChIInChI=1S/C21H22FN7OS/c1-12-9-29-10-13(8-15(22)18(29)23-12)24-19(30)21-25-16-4-5-17(26-20(16)31-21)28-7-6-14(11-28)27(2)3/h4-5,8-10,14H,6-7,11H2,1-3H3,(H,24,30)/t14-/m1/s1
InChIKeyWEHZVZPMHJULGY-CQSZACIVSA-N
XLogP3.18
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide?
The IUPAC name of 5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide (CID 170747701) is 5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide?
The canonical SMILES for 5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide is Cc1cn2cc(NC(=O)c3nc4ccc(N5CC[C@@H](N(C)C)C5)nc4s3)cc(F)c2n1.
What is the InChIKey of 5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide?
The InChIKey is WEHZVZPMHJULGY-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22FN7OS/c1-12-9-29-10-13(8-15(22)18(29)23-12)24-19(30)21-25-16-4-5-17(26-20(16)31-21)28-7-6-14(11-28)27(2)3/h4-5,8-10,14H,6-7,11H2,1-3H3,(H,24,30)/t14-/m1/s1.
What are the key properties of 5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide?
5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide is sourced from PubChem (CID 170747701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).