4-(5-chloro-2-pyridinyl)-N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)benzamide

C23H19ClN4O — CID 45267576

IUPAC4-(5-chloro-2-pyridinyl)-N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)benzamide
SMILESCc1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cn4)cc3)cn12
InChIInChI=1S/C23H19ClN4O/c1-14-22(16-4-5-16)27-21-11-9-19(13-28(14)21)26-23(29)17-6-2-15(3-7-17)20-10-8-18(24)12-25-20/h2-3,6-13,16H,4-5H2,1H3,(H,26,29)
InChIKeyVFNRUOWKNHQHFU-UHFFFAOYSA-N
MW402.89 g/mol
LogP5.49
Rot. Bonds4

About 4-(5-chloro-2-pyridinyl)-N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)benzamide

4-(5-chloro-2-pyridinyl)-N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)benzamide (PubChem CID 45267576) has the molecular formula C23H19ClN4O and a molecular weight of 402.89 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridinyl)-N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)benzamide.

Molecular Properties

Compound Name4-(5-chloro-2-pyridinyl)-N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)benzamide
PubChem CID45267576
Molecular FormulaC23H19ClN4O
Molecular Weight402.89 g/mol
Exact Mass402.12
IUPAC Name4-(5-chloro-2-pyridinyl)-N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)benzamide
SMILESCc1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cn4)cc3)cn12
InChIInChI=1S/C23H19ClN4O/c1-14-22(16-4-5-16)27-21-11-9-19(13-28(14)21)26-23(29)17-6-2-15(3-7-17)20-10-8-18(24)12-25-20/h2-3,6-13,16H,4-5H2,1H3,(H,26,29)
InChIKeyVFNRUOWKNHQHFU-UHFFFAOYSA-N
XLogP5.49
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.89
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridinyl)-N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)benzamide?
The IUPAC name of 4-(5-chloro-2-pyridinyl)-N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)benzamide (CID 45267576) is 4-(5-chloro-2-pyridinyl)-N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)benzamide.
What is the SMILES notation for 4-(5-chloro-2-pyridinyl)-N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)benzamide?
The canonical SMILES for 4-(5-chloro-2-pyridinyl)-N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)benzamide is Cc1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cn4)cc3)cn12.
What is the InChIKey of 4-(5-chloro-2-pyridinyl)-N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)benzamide?
The InChIKey is VFNRUOWKNHQHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O/c1-14-22(16-4-5-16)27-21-11-9-19(13-28(14)21)26-23(29)17-6-2-15(3-7-17)20-10-8-18(24)12-25-20/h2-3,6-13,16H,4-5H2,1H3,(H,26,29).
What are the key properties of 4-(5-chloro-2-pyridinyl)-N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)benzamide?
4-(5-chloro-2-pyridinyl)-N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)benzamide has a molecular weight of 402.89 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridinyl)-N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)benzamide is sourced from PubChem (CID 45267576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).