5-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]imidazo[1,5-a]pyridine-6-carboxamide

C19H14N6OS — CID 167836475

IUPAC5-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]imidazo[1,5-a]pyridine-6-carboxamide
SMILESCc1c(C(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)ccc2cncn12
InChIInChI=1S/C19H14N6OS/c1-11-13(5-4-12-7-20-10-25(11)12)18(26)24-19-23-16(9-27-19)15-8-22-17-14(15)3-2-6-21-17/h2-10H,1H3,(H,21,22)(H,23,24,26)
InChIKeyCMQRUPHUJVCGFX-UHFFFAOYSA-N
MW374.43 g/mol
LogP3.89
Rot. Bonds3

About 5-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]imidazo[1,5-a]pyridine-6-carboxamide

5-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]imidazo[1,5-a]pyridine-6-carboxamide (PubChem CID 167836475) has the molecular formula C19H14N6OS and a molecular weight of 374.43 g/mol. Its IUPAC name is 5-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]imidazo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]imidazo[1,5-a]pyridine-6-carboxamide
PubChem CID167836475
Molecular FormulaC19H14N6OS
Molecular Weight374.43 g/mol
Exact Mass374.09
IUPAC Name5-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]imidazo[1,5-a]pyridine-6-carboxamide
SMILESCc1c(C(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)ccc2cncn12
InChIInChI=1S/C19H14N6OS/c1-11-13(5-4-12-7-20-10-25(11)12)18(26)24-19-23-16(9-27-19)15-8-22-17-14(15)3-2-6-21-17/h2-10H,1H3,(H,21,22)(H,23,24,26)
InChIKeyCMQRUPHUJVCGFX-UHFFFAOYSA-N
XLogP3.89
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
CID 57421983
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CID 11605242
3,4-dimethyl-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1H-pyridazin-6-one
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N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrazin-2-yl-1,2-oxazole-4-carboxamide
CID 176859817
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 39016403
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide
CID 55413859
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-3-carboxamide
CID 24562986
2-hydroxy-3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 78895805
2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]guanidine
CID 53269660
tert-butyl-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]carbamic acid
CID 69315886
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
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4-[1-(4-methylphenyl)sulfonylindol-3-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]imidazo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of 5-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]imidazo[1,5-a]pyridine-6-carboxamide (CID 167836475) is 5-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]imidazo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]imidazo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]imidazo[1,5-a]pyridine-6-carboxamide is Cc1c(C(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)ccc2cncn12.
What is the InChIKey of 5-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]imidazo[1,5-a]pyridine-6-carboxamide?
The InChIKey is CMQRUPHUJVCGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6OS/c1-11-13(5-4-12-7-20-10-25(11)12)18(26)24-19-23-16(9-27-19)15-8-22-17-14(15)3-2-6-21-17/h2-10H,1H3,(H,21,22)(H,23,24,26).
What are the key properties of 5-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]imidazo[1,5-a]pyridine-6-carboxamide?
5-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]imidazo[1,5-a]pyridine-6-carboxamide has a molecular weight of 374.43 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]imidazo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 167836475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).