1-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2H-pyridine-4-carbonitrile

C25H29N5O — CID 150258499

IUPAC1-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2H-pyridine-4-carbonitrile
SMILESCn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2nc(N3C=CC(C#N)=CC3)ccc21
InChIInChI=1S/C25H29N5O/c1-28-17-21(19-10-14-30(15-11-19)25(31)20-4-2-3-5-20)24-22(28)6-7-23(27-24)29-12-8-18(16-26)9-13-29/h6-9,12,17,19-20H,2-5,10-11,13-15H2,1H3
InChIKeyGBBFWNHOSWMMEP-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.25
Rot. Bonds3

About 1-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2H-pyridine-4-carbonitrile

1-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2H-pyridine-4-carbonitrile (PubChem CID 150258499) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2H-pyridine-4-carbonitrile
PubChem CID150258499
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name1-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2H-pyridine-4-carbonitrile
SMILESCn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2nc(N3C=CC(C#N)=CC3)ccc21
InChIInChI=1S/C25H29N5O/c1-28-17-21(19-10-14-30(15-11-19)25(31)20-4-2-3-5-20)24-22(28)6-7-23(27-24)29-12-8-18(16-26)9-13-29/h6-9,12,17,19-20H,2-5,10-11,13-15H2,1H3
InChIKeyGBBFWNHOSWMMEP-UHFFFAOYSA-N
XLogP4.25
TPSA65.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2H-pyridine-4-carbonitrile?
The IUPAC name of 1-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2H-pyridine-4-carbonitrile (CID 150258499) is 1-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2H-pyridine-4-carbonitrile.
What is the SMILES notation for 1-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2H-pyridine-4-carbonitrile?
The canonical SMILES for 1-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2H-pyridine-4-carbonitrile is Cn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2nc(N3C=CC(C#N)=CC3)ccc21.
What is the InChIKey of 1-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2H-pyridine-4-carbonitrile?
The InChIKey is GBBFWNHOSWMMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-28-17-21(19-10-14-30(15-11-19)25(31)20-4-2-3-5-20)24-22(28)6-7-23(27-24)29-12-8-18(16-26)9-13-29/h6-9,12,17,19-20H,2-5,10-11,13-15H2,1H3.
What are the key properties of 1-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2H-pyridine-4-carbonitrile?
1-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2H-pyridine-4-carbonitrile has a molecular weight of 415.54 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2H-pyridine-4-carbonitrile is sourced from PubChem (CID 150258499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).