2-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C20H20N8O2S — CID 59331994

IUPAC2-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCn1c(=O)n(-c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)c2cccnc21
InChIInChI=1S/C20H20N8O2S/c1-26-17-16(3-2-5-23-17)28(20(26)30)19-25-14(12-31-19)18(29)24-13-11-22-6-4-15(13)27-9-7-21-8-10-27/h2-6,11-12,21H,7-10H2,1H3,(H,24,29)
InChIKeyDVPWYHYXCWKGEN-UHFFFAOYSA-N
MW436.50 g/mol
LogP1.24
Rot. Bonds4

About 2-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 59331994) has the molecular formula C20H20N8O2S and a molecular weight of 436.50 g/mol. Its IUPAC name is 2-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID59331994
Molecular FormulaC20H20N8O2S
Molecular Weight436.50 g/mol
Exact Mass436.14
IUPAC Name2-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCn1c(=O)n(-c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)c2cccnc21
InChIInChI=1S/C20H20N8O2S/c1-26-17-16(3-2-5-23-17)28(20(26)30)19-25-14(12-31-19)18(29)24-13-11-22-6-4-15(13)27-9-7-21-8-10-27/h2-6,11-12,21H,7-10H2,1H3,(H,24,29)
InChIKeyDVPWYHYXCWKGEN-UHFFFAOYSA-N
XLogP1.24
TPSA109.97 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 59331994) is 2-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is Cn1c(=O)n(-c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)c2cccnc21.
What is the InChIKey of 2-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DVPWYHYXCWKGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O2S/c1-26-17-16(3-2-5-23-17)28(20(26)30)19-25-14(12-31-19)18(29)24-13-11-22-6-4-15(13)27-9-7-21-8-10-27/h2-6,11-12,21H,7-10H2,1H3,(H,24,29).
What are the key properties of 2-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 436.50 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59331994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).