2-[2-methyl-3-(1-methyl-7-propan-2-yl-9H-carbazol-4-yl)phenyl]-1H-pyrrolo[3,4-c]pyridin-3-one

C30H27N3O — CID 174734479

IUPAC2-[2-methyl-3-(1-methyl-7-propan-2-yl-9H-carbazol-4-yl)phenyl]-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESCc1c(-c2ccc(C)c3[nH]c4cc(C(C)C)ccc4c23)cccc1N1Cc2ccncc2C1=O
InChIInChI=1S/C30H27N3O/c1-17(2)20-9-11-24-26(14-20)32-29-18(3)8-10-23(28(24)29)22-6-5-7-27(19(22)4)33-16-21-12-13-31-15-25(21)30(33)34/h5-15,17,32H,16H2,1-4H3
InChIKeyZSJYCVXYIBZNNM-UHFFFAOYSA-N
MW445.57 g/mol
LogP7.28
Rot. Bonds3

About 2-[2-methyl-3-(1-methyl-7-propan-2-yl-9H-carbazol-4-yl)phenyl]-1H-pyrrolo[3,4-c]pyridin-3-one

2-[2-methyl-3-(1-methyl-7-propan-2-yl-9H-carbazol-4-yl)phenyl]-1H-pyrrolo[3,4-c]pyridin-3-one (PubChem CID 174734479) has the molecular formula C30H27N3O and a molecular weight of 445.57 g/mol. Its IUPAC name is 2-[2-methyl-3-(1-methyl-7-propan-2-yl-9H-carbazol-4-yl)phenyl]-1H-pyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-[2-methyl-3-(1-methyl-7-propan-2-yl-9H-carbazol-4-yl)phenyl]-1H-pyrrolo[3,4-c]pyridin-3-one
PubChem CID174734479
Molecular FormulaC30H27N3O
Molecular Weight445.57 g/mol
Exact Mass445.22
IUPAC Name2-[2-methyl-3-(1-methyl-7-propan-2-yl-9H-carbazol-4-yl)phenyl]-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESCc1c(-c2ccc(C)c3[nH]c4cc(C(C)C)ccc4c23)cccc1N1Cc2ccncc2C1=O
InChIInChI=1S/C30H27N3O/c1-17(2)20-9-11-24-26(14-20)32-29-18(3)8-10-23(28(24)29)22-6-5-7-27(19(22)4)33-16-21-12-13-31-15-25(21)30(33)34/h5-15,17,32H,16H2,1-4H3
InChIKeyZSJYCVXYIBZNNM-UHFFFAOYSA-N
XLogP7.28
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-(1-methyl-7-propan-2-yl-9H-carbazol-4-yl)phenyl]-1H-pyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-[2-methyl-3-(1-methyl-7-propan-2-yl-9H-carbazol-4-yl)phenyl]-1H-pyrrolo[3,4-c]pyridin-3-one (CID 174734479) is 2-[2-methyl-3-(1-methyl-7-propan-2-yl-9H-carbazol-4-yl)phenyl]-1H-pyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-[2-methyl-3-(1-methyl-7-propan-2-yl-9H-carbazol-4-yl)phenyl]-1H-pyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-[2-methyl-3-(1-methyl-7-propan-2-yl-9H-carbazol-4-yl)phenyl]-1H-pyrrolo[3,4-c]pyridin-3-one is Cc1c(-c2ccc(C)c3[nH]c4cc(C(C)C)ccc4c23)cccc1N1Cc2ccncc2C1=O.
What is the InChIKey of 2-[2-methyl-3-(1-methyl-7-propan-2-yl-9H-carbazol-4-yl)phenyl]-1H-pyrrolo[3,4-c]pyridin-3-one?
The InChIKey is ZSJYCVXYIBZNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O/c1-17(2)20-9-11-24-26(14-20)32-29-18(3)8-10-23(28(24)29)22-6-5-7-27(19(22)4)33-16-21-12-13-31-15-25(21)30(33)34/h5-15,17,32H,16H2,1-4H3.
What are the key properties of 2-[2-methyl-3-(1-methyl-7-propan-2-yl-9H-carbazol-4-yl)phenyl]-1H-pyrrolo[3,4-c]pyridin-3-one?
2-[2-methyl-3-(1-methyl-7-propan-2-yl-9H-carbazol-4-yl)phenyl]-1H-pyrrolo[3,4-c]pyridin-3-one has a molecular weight of 445.57 g/mol, XLogP of 7.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-(1-methyl-7-propan-2-yl-9H-carbazol-4-yl)phenyl]-1H-pyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 174734479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).