3-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-methylbenzamide

C29H25N5O — CID 25261428

IUPAC3-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccn3c(-c4cc(NC5CC5)nc(-c5ccccc5)c4)cnc3c2)c1
InChIInChI=1S/C29H25N5O/c1-30-29(35)22-9-5-8-20(14-22)21-12-13-34-26(18-31-28(34)17-21)23-15-25(19-6-3-2-4-7-19)33-27(16-23)32-24-10-11-24/h2-9,12-18,24H,10-11H2,1H3,(H,30,35)(H,32,33)
InChIKeyMUFQZHHUJCMIKI-UHFFFAOYSA-N
MW459.55 g/mol
LogP5.66
Rot. Bonds6

About 3-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-methylbenzamide

3-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-methylbenzamide (PubChem CID 25261428) has the molecular formula C29H25N5O and a molecular weight of 459.55 g/mol. Its IUPAC name is 3-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-methylbenzamide
PubChem CID25261428
Molecular FormulaC29H25N5O
Molecular Weight459.55 g/mol
Exact Mass459.21
IUPAC Name3-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccn3c(-c4cc(NC5CC5)nc(-c5ccccc5)c4)cnc3c2)c1
InChIInChI=1S/C29H25N5O/c1-30-29(35)22-9-5-8-20(14-22)21-12-13-34-26(18-31-28(34)17-21)23-15-25(19-6-3-2-4-7-19)33-27(16-23)32-24-10-11-24/h2-9,12-18,24H,10-11H2,1H3,(H,30,35)(H,32,33)
InChIKeyMUFQZHHUJCMIKI-UHFFFAOYSA-N
XLogP5.66
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-methylbenzamide?
The IUPAC name of 3-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-methylbenzamide (CID 25261428) is 3-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-methylbenzamide?
The canonical SMILES for 3-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-methylbenzamide is CNC(=O)c1cccc(-c2ccn3c(-c4cc(NC5CC5)nc(-c5ccccc5)c4)cnc3c2)c1.
What is the InChIKey of 3-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-methylbenzamide?
The InChIKey is MUFQZHHUJCMIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O/c1-30-29(35)22-9-5-8-20(14-22)21-12-13-34-26(18-31-28(34)17-21)23-15-25(19-6-3-2-4-7-19)33-27(16-23)32-24-10-11-24/h2-9,12-18,24H,10-11H2,1H3,(H,30,35)(H,32,33).
What are the key properties of 3-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-methylbenzamide?
3-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-methylbenzamide has a molecular weight of 459.55 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-methylbenzamide is sourced from PubChem (CID 25261428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).