[5-amino-4-(1H-indole-3-carbonyl)-3-pyridin-2-yl-1H-pyrrol-2-yl]-phenylmethanone

C25H18N4O2 — CID 56588213

IUPAC[5-amino-4-(1H-indole-3-carbonyl)-3-pyridin-2-yl-1H-pyrrol-2-yl]-phenylmethanone
SMILESNc1[nH]c(C(=O)c2ccccc2)c(-c2ccccn2)c1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C25H18N4O2/c26-25-21(24(31)17-14-28-18-11-5-4-10-16(17)18)20(19-12-6-7-13-27-19)22(29-25)23(30)15-8-2-1-3-9-15/h1-14,28-29H,26H2
InChIKeyBPCYLQVFUMTVSX-UHFFFAOYSA-N
MW406.45 g/mol
LogP4.60
Rot. Bonds5

About [5-amino-4-(1H-indole-3-carbonyl)-3-pyridin-2-yl-1H-pyrrol-2-yl]-phenylmethanone

[5-amino-4-(1H-indole-3-carbonyl)-3-pyridin-2-yl-1H-pyrrol-2-yl]-phenylmethanone (PubChem CID 56588213) has the molecular formula C25H18N4O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is [5-amino-4-(1H-indole-3-carbonyl)-3-pyridin-2-yl-1H-pyrrol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-amino-4-(1H-indole-3-carbonyl)-3-pyridin-2-yl-1H-pyrrol-2-yl]-phenylmethanone
PubChem CID56588213
Molecular FormulaC25H18N4O2
Molecular Weight406.45 g/mol
Exact Mass406.14
IUPAC Name[5-amino-4-(1H-indole-3-carbonyl)-3-pyridin-2-yl-1H-pyrrol-2-yl]-phenylmethanone
SMILESNc1[nH]c(C(=O)c2ccccc2)c(-c2ccccn2)c1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C25H18N4O2/c26-25-21(24(31)17-14-28-18-11-5-4-10-16(17)18)20(19-12-6-7-13-27-19)22(29-25)23(30)15-8-2-1-3-9-15/h1-14,28-29H,26H2
InChIKeyBPCYLQVFUMTVSX-UHFFFAOYSA-N
XLogP4.60
TPSA104.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indol-3-yl(pyridin-2-yl)methanone
CID 3820978
1H-indol-3-yl-(6-phenyl-2-pyridinyl)methanone
CID 139561362
(3-aminophenyl)-(1H-indol-3-yl)methanone
CID 19024726
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
2-amino-5-benzoyl-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 53299934
(5-amino-2-pyridinyl)-(1H-indol-3-yl)methanone
CID 112742464
1H-indol-3-yl-(4-iodophenyl)methanone
CID 43339241
(2,6-dichlorophenyl)-(1H-indol-3-yl)methanone
CID 43339266
2-amino-5-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide
CID 56588245
[5-amino-3-(3-bromophenyl)-4-(2-methyl-1H-indole-3-carbonyl)-1H-pyrrol-2-yl]-phenylmethanone
CID 70698470
1H-indol-3-yl(1,3-thiazol-2-yl)methanone
CID 69252541
phenyl-(4-pyridin-2-yl-1H-pyrrol-3-yl)methanone
CID 90646559

Frequently Asked Questions

What is the IUPAC name of [5-amino-4-(1H-indole-3-carbonyl)-3-pyridin-2-yl-1H-pyrrol-2-yl]-phenylmethanone?
The IUPAC name of [5-amino-4-(1H-indole-3-carbonyl)-3-pyridin-2-yl-1H-pyrrol-2-yl]-phenylmethanone (CID 56588213) is [5-amino-4-(1H-indole-3-carbonyl)-3-pyridin-2-yl-1H-pyrrol-2-yl]-phenylmethanone.
What is the SMILES notation for [5-amino-4-(1H-indole-3-carbonyl)-3-pyridin-2-yl-1H-pyrrol-2-yl]-phenylmethanone?
The canonical SMILES for [5-amino-4-(1H-indole-3-carbonyl)-3-pyridin-2-yl-1H-pyrrol-2-yl]-phenylmethanone is Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccccn2)c1C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [5-amino-4-(1H-indole-3-carbonyl)-3-pyridin-2-yl-1H-pyrrol-2-yl]-phenylmethanone?
The InChIKey is BPCYLQVFUMTVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O2/c26-25-21(24(31)17-14-28-18-11-5-4-10-16(17)18)20(19-12-6-7-13-27-19)22(29-25)23(30)15-8-2-1-3-9-15/h1-14,28-29H,26H2.
What are the key properties of [5-amino-4-(1H-indole-3-carbonyl)-3-pyridin-2-yl-1H-pyrrol-2-yl]-phenylmethanone?
[5-amino-4-(1H-indole-3-carbonyl)-3-pyridin-2-yl-1H-pyrrol-2-yl]-phenylmethanone has a molecular weight of 406.45 g/mol, XLogP of 4.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-4-(1H-indole-3-carbonyl)-3-pyridin-2-yl-1H-pyrrol-2-yl]-phenylmethanone is sourced from PubChem (CID 56588213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).