5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-ethylamino]-4-ethylpyridine-2-carbonitrile

C30H27N7 — CID 126494720

IUPAC5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-ethylamino]-4-ethylpyridine-2-carbonitrile
SMILESCCc1cc(C#N)ncc1N(CC)c1cc2c(ncn2C)c(N=C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C30H27N7/c1-4-21-16-24(18-31)32-19-26(21)37(5-2)27-17-25-29(33-20-36(25)3)30(34-27)35-28(22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-17,19-20H,4-5H2,1-3H3
InChIKeyZOYPJNXHEYCCAS-UHFFFAOYSA-N
MW485.60 g/mol
LogP6.12
Rot. Bonds7

About 5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-ethylamino]-4-ethylpyridine-2-carbonitrile

5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-ethylamino]-4-ethylpyridine-2-carbonitrile (PubChem CID 126494720) has the molecular formula C30H27N7 and a molecular weight of 485.60 g/mol. Its IUPAC name is 5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-ethylamino]-4-ethylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-ethylamino]-4-ethylpyridine-2-carbonitrile
PubChem CID126494720
Molecular FormulaC30H27N7
Molecular Weight485.60 g/mol
Exact Mass485.23
IUPAC Name5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-ethylamino]-4-ethylpyridine-2-carbonitrile
SMILESCCc1cc(C#N)ncc1N(CC)c1cc2c(ncn2C)c(N=C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C30H27N7/c1-4-21-16-24(18-31)32-19-26(21)37(5-2)27-17-25-29(33-20-36(25)3)30(34-27)35-28(22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-17,19-20H,4-5H2,1-3H3
InChIKeyZOYPJNXHEYCCAS-UHFFFAOYSA-N
XLogP6.12
TPSA82.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.60
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-ethylamino]-4-ethylpyridine-2-carbonitrile?
The IUPAC name of 5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-ethylamino]-4-ethylpyridine-2-carbonitrile (CID 126494720) is 5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-ethylamino]-4-ethylpyridine-2-carbonitrile.
What is the SMILES notation for 5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-ethylamino]-4-ethylpyridine-2-carbonitrile?
The canonical SMILES for 5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-ethylamino]-4-ethylpyridine-2-carbonitrile is CCc1cc(C#N)ncc1N(CC)c1cc2c(ncn2C)c(N=C(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-ethylamino]-4-ethylpyridine-2-carbonitrile?
The InChIKey is ZOYPJNXHEYCCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N7/c1-4-21-16-24(18-31)32-19-26(21)37(5-2)27-17-25-29(33-20-36(25)3)30(34-27)35-28(22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-17,19-20H,4-5H2,1-3H3.
What are the key properties of 5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-ethylamino]-4-ethylpyridine-2-carbonitrile?
5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-ethylamino]-4-ethylpyridine-2-carbonitrile has a molecular weight of 485.60 g/mol, XLogP of 6.12, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-ethylamino]-4-ethylpyridine-2-carbonitrile is sourced from PubChem (CID 126494720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).