(2,5-dicyclopropyl-1H-pyrrol-3-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C24H25N3O — CID 166245925

IUPAC(2,5-dicyclopropyl-1H-pyrrol-3-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)[nH]c1C1CC1)N1CC=C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H25N3O/c28-24(19-13-22(16-5-6-16)26-23(19)17-7-8-17)27-11-9-15(10-12-27)20-14-25-21-4-2-1-3-18(20)21/h1-4,9,13-14,16-17,25-26H,5-8,10-12H2
InChIKeyVRHRPIDBNSGVOA-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.18
Rot. Bonds4

About (2,5-dicyclopropyl-1H-pyrrol-3-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone

(2,5-dicyclopropyl-1H-pyrrol-3-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 166245925) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is (2,5-dicyclopropyl-1H-pyrrol-3-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dicyclopropyl-1H-pyrrol-3-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID166245925
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name(2,5-dicyclopropyl-1H-pyrrol-3-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)[nH]c1C1CC1)N1CC=C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H25N3O/c28-24(19-13-22(16-5-6-16)26-23(19)17-7-8-17)27-11-9-15(10-12-27)20-14-25-21-4-2-1-3-18(20)21/h1-4,9,13-14,16-17,25-26H,5-8,10-12H2
InChIKeyVRHRPIDBNSGVOA-UHFFFAOYSA-N
XLogP5.18
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Launch Full Analysis

Related Compounds

(2,4-dichloro-5-fluorophenyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 46699903
(4R)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]imidazolidin-2-one
CID 97083905
3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 71867021
(1-hydroxycyclopentyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 110931231
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 41133578
(2-chlorophenyl)-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113087028
[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methylphenyl)methanone
CID 39545583
1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone
CID 113086670
N-cyclopentyl-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide
CID 20916507
N-cycloheptyl-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide
CID 20916506
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 71705869
N-(2,4-difluorophenyl)-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 46277479

Frequently Asked Questions

What is the IUPAC name of (2,5-dicyclopropyl-1H-pyrrol-3-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (2,5-dicyclopropyl-1H-pyrrol-3-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 166245925) is (2,5-dicyclopropyl-1H-pyrrol-3-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (2,5-dicyclopropyl-1H-pyrrol-3-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (2,5-dicyclopropyl-1H-pyrrol-3-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is O=C(c1cc(C2CC2)[nH]c1C1CC1)N1CC=C(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of (2,5-dicyclopropyl-1H-pyrrol-3-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is VRHRPIDBNSGVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c28-24(19-13-22(16-5-6-16)26-23(19)17-7-8-17)27-11-9-15(10-12-27)20-14-25-21-4-2-1-3-18(20)21/h1-4,9,13-14,16-17,25-26H,5-8,10-12H2.
What are the key properties of (2,5-dicyclopropyl-1H-pyrrol-3-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(2,5-dicyclopropyl-1H-pyrrol-3-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 371.48 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dicyclopropyl-1H-pyrrol-3-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 166245925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).