[4-(3-methylphenyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone

C27H29N5O — CID 53149035

IUPAC[4-(3-methylphenyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
SMILESCCCn1c(-c2cccc(C(=O)N3CCN(c4cccc(C)c4)CC3)c2)nc2cccnc21
InChIInChI=1S/C27H29N5O/c1-3-13-32-25(29-24-11-6-12-28-26(24)32)21-8-5-9-22(19-21)27(33)31-16-14-30(15-17-31)23-10-4-7-20(2)18-23/h4-12,18-19H,3,13-17H2,1-2H3
InChIKeyASBIKSMAAKBTBM-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.78
Rot. Bonds5

About [4-(3-methylphenyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone

[4-(3-methylphenyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone (PubChem CID 53149035) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is [4-(3-methylphenyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(3-methylphenyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
PubChem CID53149035
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC Name[4-(3-methylphenyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
SMILESCCCn1c(-c2cccc(C(=O)N3CCN(c4cccc(C)c4)CC3)c2)nc2cccnc21
InChIInChI=1S/C27H29N5O/c1-3-13-32-25(29-24-11-6-12-28-26(24)32)21-8-5-9-22(19-21)27(33)31-16-14-30(15-17-31)23-10-4-7-20(2)18-23/h4-12,18-19H,3,13-17H2,1-2H3
InChIKeyASBIKSMAAKBTBM-UHFFFAOYSA-N
XLogP4.78
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(3-methylphenyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone with MolForge

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Related Compounds

(4-propan-2-ylpiperazin-1-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
CID 53149033
[4-(2-methylpropyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
CID 53149042
[3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 53148865
3-(3-propylimidazo[4,5-b]pyridin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide
CID 53149051
N-[(1R)-1-phenylethyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide
CID 95097061
(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110692487
N-(4-methylsulfanylphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide
CID 53149025
(3-ethyl-2-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 136519004
N-(3-methoxyphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide
CID 53148980
[4-(3-methylphenyl)piperazin-1-yl]-[2-(pentylamino)-4-pyridinyl]methanone
CID 109174364
(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4993620
[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113075595

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone?
The IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone (CID 53149035) is [4-(3-methylphenyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone.
What is the SMILES notation for [4-(3-methylphenyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone?
The canonical SMILES for [4-(3-methylphenyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone is CCCn1c(-c2cccc(C(=O)N3CCN(c4cccc(C)c4)CC3)c2)nc2cccnc21.
What is the InChIKey of [4-(3-methylphenyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone?
The InChIKey is ASBIKSMAAKBTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O/c1-3-13-32-25(29-24-11-6-12-28-26(24)32)21-8-5-9-22(19-21)27(33)31-16-14-30(15-17-31)23-10-4-7-20(2)18-23/h4-12,18-19H,3,13-17H2,1-2H3.
What are the key properties of [4-(3-methylphenyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone?
[4-(3-methylphenyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone has a molecular weight of 439.56 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone is sourced from PubChem (CID 53149035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).