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

C24H31N5O — CID 53149042

IUPAC[4-(2-methylpropyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
SMILESCCCn1c(-c2cccc(C(=O)N3CCN(CC(C)C)CC3)c2)nc2cccnc21
InChIInChI=1S/C24H31N5O/c1-4-11-29-22(26-21-9-6-10-25-23(21)29)19-7-5-8-20(16-19)24(30)28-14-12-27(13-15-28)17-18(2)3/h5-10,16,18H,4,11-15,17H2,1-3H3
InChIKeySYLYJRAAANWJHZ-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.92
Rot. Bonds6

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

[4-(2-methylpropyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone (PubChem CID 53149042) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is [4-(2-methylpropyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-methylpropyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
PubChem CID53149042
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name[4-(2-methylpropyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
SMILESCCCn1c(-c2cccc(C(=O)N3CCN(CC(C)C)CC3)c2)nc2cccnc21
InChIInChI=1S/C24H31N5O/c1-4-11-29-22(26-21-9-6-10-25-23(21)29)19-7-5-8-20(16-19)24(30)28-14-12-27(13-15-28)17-18(2)3/h5-10,16,18H,4,11-15,17H2,1-3H3
InChIKeySYLYJRAAANWJHZ-UHFFFAOYSA-N
XLogP3.92
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone?
The IUPAC name of [4-(2-methylpropyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone (CID 53149042) is [4-(2-methylpropyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone.
What is the SMILES notation for [4-(2-methylpropyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone?
The canonical SMILES for [4-(2-methylpropyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone is CCCn1c(-c2cccc(C(=O)N3CCN(CC(C)C)CC3)c2)nc2cccnc21.
What is the InChIKey of [4-(2-methylpropyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone?
The InChIKey is SYLYJRAAANWJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-4-11-29-22(26-21-9-6-10-25-23(21)29)19-7-5-8-20(16-19)24(30)28-14-12-27(13-15-28)17-18(2)3/h5-10,16,18H,4,11-15,17H2,1-3H3.
What are the key properties of [4-(2-methylpropyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone?
[4-(2-methylpropyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone has a molecular weight of 405.55 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone is sourced from PubChem (CID 53149042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).