3-anilino-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

C20H20N4O — CID 122442125

IUPAC3-anilino-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCC1(C)Cc2[nH]c(-c3ccncc3)c(Nc3ccccc3)c2C(=O)N1
InChIInChI=1S/C20H20N4O/c1-20(2)12-15-16(19(25)24-20)18(22-14-6-4-3-5-7-14)17(23-15)13-8-10-21-11-9-13/h3-11,22-23H,12H2,1-2H3,(H,24,25)
InChIKeyVNKVMCPLMPFYNP-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.88
Rot. Bonds3

About 3-anilino-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

3-anilino-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 122442125) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 3-anilino-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-anilino-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID122442125
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name3-anilino-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCC1(C)Cc2[nH]c(-c3ccncc3)c(Nc3ccccc3)c2C(=O)N1
InChIInChI=1S/C20H20N4O/c1-20(2)12-15-16(19(25)24-20)18(22-14-6-4-3-5-7-14)17(23-15)13-8-10-21-11-9-13/h3-11,22-23H,12H2,1-2H3,(H,24,25)
InChIKeyVNKVMCPLMPFYNP-UHFFFAOYSA-N
XLogP3.88
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-anilino-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (CID 122442125) is 3-anilino-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-anilino-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-anilino-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is CC1(C)Cc2[nH]c(-c3ccncc3)c(Nc3ccccc3)c2C(=O)N1.
What is the InChIKey of 3-anilino-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is VNKVMCPLMPFYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-20(2)12-15-16(19(25)24-20)18(22-14-6-4-3-5-7-14)17(23-15)13-8-10-21-11-9-13/h3-11,22-23H,12H2,1-2H3,(H,24,25).
What are the key properties of 3-anilino-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
3-anilino-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 332.41 g/mol, XLogP of 3.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 122442125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).