[4-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone

C25H30N4O2 — CID 95853360

IUPAC[4-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(Cc2c(C3CCCC3)[nH]c3ncccc23)CC1
InChIInChI=1S/C25H30N4O2/c1-31-22-11-5-4-9-20(22)25(30)29-15-13-28(14-16-29)17-21-19-10-6-12-26-24(19)27-23(21)18-7-2-3-8-18/h4-6,9-12,18H,2-3,7-8,13-17H2,1H3,(H,26,27)
InChIKeyPIHKPCZBWCICBJ-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.19
Rot. Bonds5

About [4-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone

[4-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 95853360) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is [4-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID95853360
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name[4-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(Cc2c(C3CCCC3)[nH]c3ncccc23)CC1
InChIInChI=1S/C25H30N4O2/c1-31-22-11-5-4-9-20(22)25(30)29-15-13-28(14-16-29)17-21-19-10-6-12-26-24(19)27-23(21)18-7-2-3-8-18/h4-6,9-12,18H,2-3,7-8,13-17H2,1H3,(H,26,27)
InChIKeyPIHKPCZBWCICBJ-UHFFFAOYSA-N
XLogP4.19
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 95853016
(2-methoxyphenyl)-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methanone
CID 110397387
(2-fluorophenyl)-[4-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperazin-1-yl]methanone
CID 92580615
1-[(3R)-3-[3-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone
CID 95854900
2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 92571670
(2-methoxyphenyl)-[3-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 110237545
(2-methoxyphenyl)-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone
CID 53145405
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone
CID 95751553
(2-methoxyphenyl)-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 56912164
(2-methoxyphenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperazin-1-yl]methanone
CID 56894068
(4-benzylpiperazin-1-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone
CID 29264109

Frequently Asked Questions

What is the IUPAC name of [4-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone (CID 95853360) is [4-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCN(Cc2c(C3CCCC3)[nH]c3ncccc23)CC1.
What is the InChIKey of [4-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is PIHKPCZBWCICBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-31-22-11-5-4-9-20(22)25(30)29-15-13-28(14-16-29)17-21-19-10-6-12-26-24(19)27-23(21)18-7-2-3-8-18/h4-6,9-12,18H,2-3,7-8,13-17H2,1H3,(H,26,27).
What are the key properties of [4-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
[4-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 418.54 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 95853360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).