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

C28H23N7 — CID 126485146

IUPAC5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyridine-2-carbonitrile
SMILESCCc1cc(C#N)ncc1Nc1cc2c(ncn2C)c(N=C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C28H23N7/c1-3-19-14-22(16-29)30-17-23(19)32-25-15-24-27(31-18-35(24)2)28(33-25)34-26(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-15,17-18H,3H2,1-2H3,(H,32,33)
InChIKeyDZDVQTRCZANSBG-UHFFFAOYSA-N
MW457.54 g/mol
LogP5.71
Rot. Bonds6

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

5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyridine-2-carbonitrile (PubChem CID 126485146) has the molecular formula C28H23N7 and a molecular weight of 457.54 g/mol. Its IUPAC name is 5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyridine-2-carbonitrile
PubChem CID126485146
Molecular FormulaC28H23N7
Molecular Weight457.54 g/mol
Exact Mass457.20
IUPAC Name5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyridine-2-carbonitrile
SMILESCCc1cc(C#N)ncc1Nc1cc2c(ncn2C)c(N=C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C28H23N7/c1-3-19-14-22(16-29)30-17-23(19)32-25-15-24-27(31-18-35(24)2)28(33-25)34-26(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-15,17-18H,3H2,1-2H3,(H,32,33)
InChIKeyDZDVQTRCZANSBG-UHFFFAOYSA-N
XLogP5.71
TPSA91.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.54
LogP ≤ 55.71
H-Bond Donors ≤ 51
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]amino]-4-ethylpyridine-2-carbonitrile?
The IUPAC name of 5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyridine-2-carbonitrile (CID 126485146) is 5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyridine-2-carbonitrile.
What is the SMILES notation for 5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyridine-2-carbonitrile?
The canonical SMILES for 5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyridine-2-carbonitrile is CCc1cc(C#N)ncc1Nc1cc2c(ncn2C)c(N=C(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyridine-2-carbonitrile?
The InChIKey is DZDVQTRCZANSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7/c1-3-19-14-22(16-29)30-17-23(19)32-25-15-24-27(31-18-35(24)2)28(33-25)34-26(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-15,17-18H,3H2,1-2H3,(H,32,33).
What are the key properties of 5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyridine-2-carbonitrile?
5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyridine-2-carbonitrile has a molecular weight of 457.54 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 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]amino]-4-ethylpyridine-2-carbonitrile is sourced from PubChem (CID 126485146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).