5-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-5-methylcyclohexa-1,3-diene-1-carboxamide

C29H27N5O — CID 142784530

IUPAC5-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-5-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1(c2ccn3c(-c4cc(NC5CC5)nc(-c5ccccc5)c4)cnc3c2)C=CC=C(C(N)=O)C1
InChIInChI=1S/C29H27N5O/c1-29(12-5-8-20(17-29)28(30)35)22-11-13-34-25(18-31-27(34)16-22)21-14-24(19-6-3-2-4-7-19)33-26(15-21)32-23-9-10-23/h2-8,11-16,18,23H,9-10,17H2,1H3,(H2,30,35)(H,32,33)
InChIKeyQPBZTEDRVUTSAS-UHFFFAOYSA-N
MW461.57 g/mol
LogP5.27
Rot. Bonds6

About 5-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-5-methylcyclohexa-1,3-diene-1-carboxamide

5-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-5-methylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 142784530) has the molecular formula C29H27N5O and a molecular weight of 461.57 g/mol. Its IUPAC name is 5-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-5-methylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name5-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-5-methylcyclohexa-1,3-diene-1-carboxamide
PubChem CID142784530
Molecular FormulaC29H27N5O
Molecular Weight461.57 g/mol
Exact Mass461.22
IUPAC Name5-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-5-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1(c2ccn3c(-c4cc(NC5CC5)nc(-c5ccccc5)c4)cnc3c2)C=CC=C(C(N)=O)C1
InChIInChI=1S/C29H27N5O/c1-29(12-5-8-20(17-29)28(30)35)22-11-13-34-25(18-31-27(34)16-22)21-14-24(19-6-3-2-4-7-19)33-26(15-21)32-23-9-10-23/h2-8,11-16,18,23H,9-10,17H2,1H3,(H2,30,35)(H,32,33)
InChIKeyQPBZTEDRVUTSAS-UHFFFAOYSA-N
XLogP5.27
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-5-methylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 5-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-5-methylcyclohexa-1,3-diene-1-carboxamide (CID 142784530) is 5-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-5-methylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 5-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-5-methylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 5-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-5-methylcyclohexa-1,3-diene-1-carboxamide is CC1(c2ccn3c(-c4cc(NC5CC5)nc(-c5ccccc5)c4)cnc3c2)C=CC=C(C(N)=O)C1.
What is the InChIKey of 5-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-5-methylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is QPBZTEDRVUTSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O/c1-29(12-5-8-20(17-29)28(30)35)22-11-13-34-25(18-31-27(34)16-22)21-14-24(19-6-3-2-4-7-19)33-26(15-21)32-23-9-10-23/h2-8,11-16,18,23H,9-10,17H2,1H3,(H2,30,35)(H,32,33).
What are the key properties of 5-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-5-methylcyclohexa-1,3-diene-1-carboxamide?
5-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-5-methylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-5-methylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 142784530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).