(4,7-dimethyl-1H-indol-3-yl)-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone

C25H22N4O — CID 10596801

IUPAC(4,7-dimethyl-1H-indol-3-yl)-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone
SMILESCc1ccc(C)c2c(C(=O)c3ccc(Cn4c(C)nc5cnccc54)cc3)c[nH]c12
InChIInChI=1S/C25H22N4O/c1-15-4-5-16(2)24-23(15)20(12-27-24)25(30)19-8-6-18(7-9-19)14-29-17(3)28-21-13-26-11-10-22(21)29/h4-13,27H,14H2,1-3H3
InChIKeyCMTYASCSOPLSAO-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.12
Rot. Bonds4

About (4,7-dimethyl-1H-indol-3-yl)-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone

(4,7-dimethyl-1H-indol-3-yl)-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone (PubChem CID 10596801) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is (4,7-dimethyl-1H-indol-3-yl)-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name(4,7-dimethyl-1H-indol-3-yl)-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone
PubChem CID10596801
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name(4,7-dimethyl-1H-indol-3-yl)-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone
SMILESCc1ccc(C)c2c(C(=O)c3ccc(Cn4c(C)nc5cnccc54)cc3)c[nH]c12
InChIInChI=1S/C25H22N4O/c1-15-4-5-16(2)24-23(15)20(12-27-24)25(30)19-8-6-18(7-9-19)14-29-17(3)28-21-13-26-11-10-22(21)29/h4-13,27H,14H2,1-3H3
InChIKeyCMTYASCSOPLSAO-UHFFFAOYSA-N
XLogP5.12
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,7-dimethyl-1H-indol-3-yl)-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone?
The IUPAC name of (4,7-dimethyl-1H-indol-3-yl)-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone (CID 10596801) is (4,7-dimethyl-1H-indol-3-yl)-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for (4,7-dimethyl-1H-indol-3-yl)-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone?
The canonical SMILES for (4,7-dimethyl-1H-indol-3-yl)-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone is Cc1ccc(C)c2c(C(=O)c3ccc(Cn4c(C)nc5cnccc54)cc3)c[nH]c12.
What is the InChIKey of (4,7-dimethyl-1H-indol-3-yl)-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone?
The InChIKey is CMTYASCSOPLSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c1-15-4-5-16(2)24-23(15)20(12-27-24)25(30)19-8-6-18(7-9-19)14-29-17(3)28-21-13-26-11-10-22(21)29/h4-13,27H,14H2,1-3H3.
What are the key properties of (4,7-dimethyl-1H-indol-3-yl)-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone?
(4,7-dimethyl-1H-indol-3-yl)-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone has a molecular weight of 394.48 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,7-dimethyl-1H-indol-3-yl)-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 10596801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).