4-(5-chlorothiophen-2-yl)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrrole-3-carboxamide

C18H15ClN4OS — CID 47519098

IUPAC4-(5-chlorothiophen-2-yl)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrrole-3-carboxamide
SMILESCc1ccn2cc(CNC(=O)c3c[nH]cc3-c3ccc(Cl)s3)nc2c1
InChIInChI=1S/C18H15ClN4OS/c1-11-4-5-23-10-12(22-17(23)6-11)7-21-18(24)14-9-20-8-13(14)15-2-3-16(19)25-15/h2-6,8-10,20H,7H2,1H3,(H,21,24)
InChIKeyDNLBWSSKUMEZDA-UHFFFAOYSA-N
MW370.87 g/mol
LogP4.28
Rot. Bonds4

About 4-(5-chlorothiophen-2-yl)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrrole-3-carboxamide

4-(5-chlorothiophen-2-yl)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrrole-3-carboxamide (PubChem CID 47519098) has the molecular formula C18H15ClN4OS and a molecular weight of 370.87 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrrole-3-carboxamide
PubChem CID47519098
Molecular FormulaC18H15ClN4OS
Molecular Weight370.87 g/mol
Exact Mass370.07
IUPAC Name4-(5-chlorothiophen-2-yl)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrrole-3-carboxamide
SMILESCc1ccn2cc(CNC(=O)c3c[nH]cc3-c3ccc(Cl)s3)nc2c1
InChIInChI=1S/C18H15ClN4OS/c1-11-4-5-23-10-12(22-17(23)6-11)7-21-18(24)14-9-20-8-13(14)15-2-3-16(19)25-15/h2-6,8-10,20H,7H2,1H3,(H,21,24)
InChIKeyDNLBWSSKUMEZDA-UHFFFAOYSA-N
XLogP4.28
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrrole-3-carboxamide (CID 47519098) is 4-(5-chlorothiophen-2-yl)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrrole-3-carboxamide is Cc1ccn2cc(CNC(=O)c3c[nH]cc3-c3ccc(Cl)s3)nc2c1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is DNLBWSSKUMEZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4OS/c1-11-4-5-23-10-12(22-17(23)6-11)7-21-18(24)14-9-20-8-13(14)15-2-3-16(19)25-15/h2-6,8-10,20H,7H2,1H3,(H,21,24).
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrrole-3-carboxamide?
4-(5-chlorothiophen-2-yl)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 370.87 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 47519098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).