8-[4-[4-(5-isocyano-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxy-1,7-naphthyridine

C29H32N6O — CID 20701161

IUPAC8-[4-[4-(5-isocyano-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxy-1,7-naphthyridine
SMILES[C-]#[N+]c1ccc2c(c1)c(C1CCC(N3CCN(c4nc(OC)cc5cccnc45)CC3)CC1)cn2C
InChIInChI=1S/C29H32N6O/c1-30-22-8-11-26-24(18-22)25(19-33(26)2)20-6-9-23(10-7-20)34-13-15-35(16-14-34)29-28-21(5-4-12-31-28)17-27(32-29)36-3/h4-5,8,11-12,17-20,23H,6-7,9-10,13-16H2,2-3H3
InChIKeyRQPTVXGDUAEVQK-UHFFFAOYSA-N
MW480.62 g/mol
LogP5.53
Rot. Bonds4

About 8-[4-[4-(5-isocyano-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxy-1,7-naphthyridine

8-[4-[4-(5-isocyano-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxy-1,7-naphthyridine (PubChem CID 20701161) has the molecular formula C29H32N6O and a molecular weight of 480.62 g/mol. Its IUPAC name is 8-[4-[4-(5-isocyano-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxy-1,7-naphthyridine.

Molecular Properties

Compound Name8-[4-[4-(5-isocyano-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxy-1,7-naphthyridine
PubChem CID20701161
Molecular FormulaC29H32N6O
Molecular Weight480.62 g/mol
Exact Mass480.26
IUPAC Name8-[4-[4-(5-isocyano-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxy-1,7-naphthyridine
SMILES[C-]#[N+]c1ccc2c(c1)c(C1CCC(N3CCN(c4nc(OC)cc5cccnc45)CC3)CC1)cn2C
InChIInChI=1S/C29H32N6O/c1-30-22-8-11-26-24(18-22)25(19-33(26)2)20-6-9-23(10-7-20)34-13-15-35(16-14-34)29-28-21(5-4-12-31-28)17-27(32-29)36-3/h4-5,8,11-12,17-20,23H,6-7,9-10,13-16H2,2-3H3
InChIKeyRQPTVXGDUAEVQK-UHFFFAOYSA-N
XLogP5.53
TPSA50.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.62
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 8-[4-[4-(5-isocyano-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxy-1,7-naphthyridine 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 8-[4-[4-(5-isocyano-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxy-1,7-naphthyridine?
The IUPAC name of 8-[4-[4-(5-isocyano-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxy-1,7-naphthyridine (CID 20701161) is 8-[4-[4-(5-isocyano-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxy-1,7-naphthyridine.
What is the SMILES notation for 8-[4-[4-(5-isocyano-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxy-1,7-naphthyridine?
The canonical SMILES for 8-[4-[4-(5-isocyano-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxy-1,7-naphthyridine is [C-]#[N+]c1ccc2c(c1)c(C1CCC(N3CCN(c4nc(OC)cc5cccnc45)CC3)CC1)cn2C.
What is the InChIKey of 8-[4-[4-(5-isocyano-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxy-1,7-naphthyridine?
The InChIKey is RQPTVXGDUAEVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O/c1-30-22-8-11-26-24(18-22)25(19-33(26)2)20-6-9-23(10-7-20)34-13-15-35(16-14-34)29-28-21(5-4-12-31-28)17-27(32-29)36-3/h4-5,8,11-12,17-20,23H,6-7,9-10,13-16H2,2-3H3.
What are the key properties of 8-[4-[4-(5-isocyano-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxy-1,7-naphthyridine?
8-[4-[4-(5-isocyano-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxy-1,7-naphthyridine has a molecular weight of 480.62 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-(5-isocyano-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxy-1,7-naphthyridine is sourced from PubChem (CID 20701161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).