N-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]-2-methylpropanamide

C32H30N6O2 — CID 155461018

IUPACN-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(-c2cn(C)c3c(=O)[nH]ccc23)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1
InChIInChI=1S/C32H30N6O2/c1-20(2)30(39)36-25-17-21(24-19-37(4)29-22(24)11-15-35-31(29)40)18-26-23(25)12-16-38(26)32(3,27-9-5-7-13-33-27)28-10-6-8-14-34-28/h5-20H,1-4H3,(H,35,40)(H,36,39)
InChIKeyAHMKSRLWZGMLEO-UHFFFAOYSA-N
MW530.63 g/mol
LogP5.68
Rot. Bonds6

About N-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]-2-methylpropanamide

N-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]-2-methylpropanamide (PubChem CID 155461018) has the molecular formula C32H30N6O2 and a molecular weight of 530.63 g/mol. Its IUPAC name is N-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]-2-methylpropanamide
PubChem CID155461018
Molecular FormulaC32H30N6O2
Molecular Weight530.63 g/mol
Exact Mass530.24
IUPAC NameN-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(-c2cn(C)c3c(=O)[nH]ccc23)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1
InChIInChI=1S/C32H30N6O2/c1-20(2)30(39)36-25-17-21(24-19-37(4)29-22(24)11-15-35-31(29)40)18-26-23(25)12-16-38(26)32(3,27-9-5-7-13-33-27)28-10-6-8-14-34-28/h5-20H,1-4H3,(H,35,40)(H,36,39)
InChIKeyAHMKSRLWZGMLEO-UHFFFAOYSA-N
XLogP5.68
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.63
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]-2-methylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]-2-methylpropanamide (CID 155461018) is N-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]-2-methylpropanamide is CC(C)C(=O)Nc1cc(-c2cn(C)c3c(=O)[nH]ccc23)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1.
What is the InChIKey of N-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]-2-methylpropanamide?
The InChIKey is AHMKSRLWZGMLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N6O2/c1-20(2)30(39)36-25-17-21(24-19-37(4)29-22(24)11-15-35-31(29)40)18-26-23(25)12-16-38(26)32(3,27-9-5-7-13-33-27)28-10-6-8-14-34-28/h5-20H,1-4H3,(H,35,40)(H,36,39).
What are the key properties of N-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]-2-methylpropanamide?
N-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]-2-methylpropanamide has a molecular weight of 530.63 g/mol, XLogP of 5.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 155461018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).