4-[5-(1-methylpyrazol-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile

C24H24N6 — CID 142474837

IUPAC4-[5-(1-methylpyrazol-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
SMILESCn1cc(-c2ncc3c(ccn3CC3CCNCC3)c2-c2ccc(C#N)cc2)cn1
InChIInChI=1S/C24H24N6/c1-29-16-20(13-28-29)24-23(19-4-2-17(12-25)3-5-19)21-8-11-30(22(21)14-27-24)15-18-6-9-26-10-7-18/h2-5,8,11,13-14,16,18,26H,6-7,9-10,15H2,1H3
InChIKeyDWEIDICVOJRPKW-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.98
Rot. Bonds4

About 4-[5-(1-methylpyrazol-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile

4-[5-(1-methylpyrazol-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile (PubChem CID 142474837) has the molecular formula C24H24N6 and a molecular weight of 396.50 g/mol. Its IUPAC name is 4-[5-(1-methylpyrazol-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(1-methylpyrazol-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
PubChem CID142474837
Molecular FormulaC24H24N6
Molecular Weight396.50 g/mol
Exact Mass396.21
IUPAC Name4-[5-(1-methylpyrazol-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
SMILESCn1cc(-c2ncc3c(ccn3CC3CCNCC3)c2-c2ccc(C#N)cc2)cn1
InChIInChI=1S/C24H24N6/c1-29-16-20(13-28-29)24-23(19-4-2-17(12-25)3-5-19)21-8-11-30(22(21)14-27-24)15-18-6-9-26-10-7-18/h2-5,8,11,13-14,16,18,26H,6-7,9-10,15H2,1H3
InChIKeyDWEIDICVOJRPKW-UHFFFAOYSA-N
XLogP3.98
TPSA71.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-methylpyrazol-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The IUPAC name of 4-[5-(1-methylpyrazol-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile (CID 142474837) is 4-[5-(1-methylpyrazol-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile.
What is the SMILES notation for 4-[5-(1-methylpyrazol-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The canonical SMILES for 4-[5-(1-methylpyrazol-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile is Cn1cc(-c2ncc3c(ccn3CC3CCNCC3)c2-c2ccc(C#N)cc2)cn1.
What is the InChIKey of 4-[5-(1-methylpyrazol-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The InChIKey is DWEIDICVOJRPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6/c1-29-16-20(13-28-29)24-23(19-4-2-17(12-25)3-5-19)21-8-11-30(22(21)14-27-24)15-18-6-9-26-10-7-18/h2-5,8,11,13-14,16,18,26H,6-7,9-10,15H2,1H3.
What are the key properties of 4-[5-(1-methylpyrazol-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
4-[5-(1-methylpyrazol-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile has a molecular weight of 396.50 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-methylpyrazol-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile is sourced from PubChem (CID 142474837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).