[3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone

C18H17N3O — CID 113088338

IUPAC[3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C18H17N3O/c22-18(14-5-3-8-19-11-14)21-9-7-15(12-21)17-10-13-4-1-2-6-16(13)20-17/h1-6,8,10-11,15,20H,7,9,12H2
InChIKeyXHMGVBMPOKOSMK-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.19
Rot. Bonds2

About [3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone

[3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 113088338) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is [3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
PubChem CID113088338
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name[3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C18H17N3O/c22-18(14-5-3-8-19-11-14)21-9-7-15(12-21)17-10-13-4-1-2-6-16(13)20-17/h1-6,8,10-11,15,20H,7,9,12H2
InChIKeyXHMGVBMPOKOSMK-UHFFFAOYSA-N
XLogP3.19
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone
CID 113088344
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 113088321
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 113088297
(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
pyrimidin-5-yl-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 110258753
(3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088558
[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95292486
[2-(dimethylamino)-4-pyridinyl]-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 51097128
(4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 155512824
[(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone
CID 98470590
2-morpholin-4-yl-4-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136821055
pyridin-3-yl-[(3R)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92577678

Frequently Asked Questions

What is the IUPAC name of [3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone (CID 113088338) is [3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC(c2cc3ccccc3[nH]2)C1.
What is the InChIKey of [3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is XHMGVBMPOKOSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c22-18(14-5-3-8-19-11-14)21-9-7-15(12-21)17-10-13-4-1-2-6-16(13)20-17/h1-6,8,10-11,15,20H,7,9,12H2.
What are the key properties of [3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 291.35 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 113088338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).