4-[[4-[(4Z)-4-butylidene-7H-pyrrolo[2,3-h][1,6]naphthyridin-1-yl]piperidin-1-yl]methyl]benzonitrile

C27H29N5 — CID 144531927

IUPAC4-[[4-[(4Z)-4-butylidene-7H-pyrrolo[2,3-h][1,6]naphthyridin-1-yl]piperidin-1-yl]methyl]benzonitrile
SMILESCCC/C=C1/C=CN(C2CCN(Cc3ccc(C#N)cc3)CC2)c2c1cnc1[nH]ccc21
InChIInChI=1S/C27H29N5/c1-2-3-4-22-10-16-32(26-24-9-13-29-27(24)30-18-25(22)26)23-11-14-31(15-12-23)19-21-7-5-20(17-28)6-8-21/h4-10,13,16,18,23H,2-3,11-12,14-15,19H2,1H3,(H,29,30)/b22-4-
InChIKeyAXMBRILNKBODNC-OZDWGKQUSA-N
MW423.56 g/mol
LogP5.62
Rot. Bonds5

About 4-[[4-[(4Z)-4-butylidene-7H-pyrrolo[2,3-h][1,6]naphthyridin-1-yl]piperidin-1-yl]methyl]benzonitrile

4-[[4-[(4Z)-4-butylidene-7H-pyrrolo[2,3-h][1,6]naphthyridin-1-yl]piperidin-1-yl]methyl]benzonitrile (PubChem CID 144531927) has the molecular formula C27H29N5 and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-[[4-[(4Z)-4-butylidene-7H-pyrrolo[2,3-h][1,6]naphthyridin-1-yl]piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[4-[(4Z)-4-butylidene-7H-pyrrolo[2,3-h][1,6]naphthyridin-1-yl]piperidin-1-yl]methyl]benzonitrile
PubChem CID144531927
Molecular FormulaC27H29N5
Molecular Weight423.56 g/mol
Exact Mass423.24
IUPAC Name4-[[4-[(4Z)-4-butylidene-7H-pyrrolo[2,3-h][1,6]naphthyridin-1-yl]piperidin-1-yl]methyl]benzonitrile
SMILESCCC/C=C1/C=CN(C2CCN(Cc3ccc(C#N)cc3)CC2)c2c1cnc1[nH]ccc21
InChIInChI=1S/C27H29N5/c1-2-3-4-22-10-16-32(26-24-9-13-29-27(24)30-18-25(22)26)23-11-14-31(15-12-23)19-21-7-5-20(17-28)6-8-21/h4-10,13,16,18,23H,2-3,11-12,14-15,19H2,1H3,(H,29,30)/b22-4-
InChIKeyAXMBRILNKBODNC-OZDWGKQUSA-N
XLogP5.62
TPSA58.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[4-[(4Z)-4-butylidene-7H-pyrrolo[2,3-h][1,6]naphthyridin-1-yl]piperidin-1-yl]methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4Z)-4-butylidene-7H-pyrrolo[2,3-h][1,6]naphthyridin-1-yl]piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[4-[(4Z)-4-butylidene-7H-pyrrolo[2,3-h][1,6]naphthyridin-1-yl]piperidin-1-yl]methyl]benzonitrile (CID 144531927) is 4-[[4-[(4Z)-4-butylidene-7H-pyrrolo[2,3-h][1,6]naphthyridin-1-yl]piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[4-[(4Z)-4-butylidene-7H-pyrrolo[2,3-h][1,6]naphthyridin-1-yl]piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[4-[(4Z)-4-butylidene-7H-pyrrolo[2,3-h][1,6]naphthyridin-1-yl]piperidin-1-yl]methyl]benzonitrile is CCC/C=C1/C=CN(C2CCN(Cc3ccc(C#N)cc3)CC2)c2c1cnc1[nH]ccc21.
What is the InChIKey of 4-[[4-[(4Z)-4-butylidene-7H-pyrrolo[2,3-h][1,6]naphthyridin-1-yl]piperidin-1-yl]methyl]benzonitrile?
The InChIKey is AXMBRILNKBODNC-OZDWGKQUSA-N. The full InChI is InChI=1S/C27H29N5/c1-2-3-4-22-10-16-32(26-24-9-13-29-27(24)30-18-25(22)26)23-11-14-31(15-12-23)19-21-7-5-20(17-28)6-8-21/h4-10,13,16,18,23H,2-3,11-12,14-15,19H2,1H3,(H,29,30)/b22-4-.
What are the key properties of 4-[[4-[(4Z)-4-butylidene-7H-pyrrolo[2,3-h][1,6]naphthyridin-1-yl]piperidin-1-yl]methyl]benzonitrile?
4-[[4-[(4Z)-4-butylidene-7H-pyrrolo[2,3-h][1,6]naphthyridin-1-yl]piperidin-1-yl]methyl]benzonitrile has a molecular weight of 423.56 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4Z)-4-butylidene-7H-pyrrolo[2,3-h][1,6]naphthyridin-1-yl]piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 144531927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).