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

C30H24N4O2 — CID 10695777

IUPAC[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]-(7-phenylmethoxy-1H-indol-3-yl)methanone
SMILESCc1nc2cnccc2n1Cc1ccc(C(=O)c2c[nH]c3c(OCc4ccccc4)cccc23)cc1
InChIInChI=1S/C30H24N4O2/c1-20-33-26-17-31-15-14-27(26)34(20)18-21-10-12-23(13-11-21)30(35)25-16-32-29-24(25)8-5-9-28(29)36-19-22-6-3-2-4-7-22/h2-17,32H,18-19H2,1H3
InChIKeyCBSICGDOCZKFSE-UHFFFAOYSA-N
MW472.55 g/mol
LogP6.08
Rot. Bonds7

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

[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]-(7-phenylmethoxy-1H-indol-3-yl)methanone (PubChem CID 10695777) has the molecular formula C30H24N4O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is [4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]-(7-phenylmethoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]-(7-phenylmethoxy-1H-indol-3-yl)methanone
PubChem CID10695777
Molecular FormulaC30H24N4O2
Molecular Weight472.55 g/mol
Exact Mass472.19
IUPAC Name[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]-(7-phenylmethoxy-1H-indol-3-yl)methanone
SMILESCc1nc2cnccc2n1Cc1ccc(C(=O)c2c[nH]c3c(OCc4ccccc4)cccc23)cc1
InChIInChI=1S/C30H24N4O2/c1-20-33-26-17-31-15-14-27(26)34(20)18-21-10-12-23(13-11-21)30(35)25-16-32-29-24(25)8-5-9-28(29)36-19-22-6-3-2-4-7-22/h2-17,32H,18-19H2,1H3
InChIKeyCBSICGDOCZKFSE-UHFFFAOYSA-N
XLogP6.08
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]-(7-phenylmethoxy-1H-indol-3-yl)methanone?
The IUPAC name of [4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]-(7-phenylmethoxy-1H-indol-3-yl)methanone (CID 10695777) is [4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]-(7-phenylmethoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for [4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]-(7-phenylmethoxy-1H-indol-3-yl)methanone?
The canonical SMILES for [4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]-(7-phenylmethoxy-1H-indol-3-yl)methanone is Cc1nc2cnccc2n1Cc1ccc(C(=O)c2c[nH]c3c(OCc4ccccc4)cccc23)cc1.
What is the InChIKey of [4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]-(7-phenylmethoxy-1H-indol-3-yl)methanone?
The InChIKey is CBSICGDOCZKFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O2/c1-20-33-26-17-31-15-14-27(26)34(20)18-21-10-12-23(13-11-21)30(35)25-16-32-29-24(25)8-5-9-28(29)36-19-22-6-3-2-4-7-22/h2-17,32H,18-19H2,1H3.
What are the key properties of [4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]-(7-phenylmethoxy-1H-indol-3-yl)methanone?
[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]-(7-phenylmethoxy-1H-indol-3-yl)methanone has a molecular weight of 472.55 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]-(7-phenylmethoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 10695777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).