(3-indazol-1-ylpyrrolidin-1-yl)-(5-methyl-1H-indol-2-yl)methanone

C21H20N4O — CID 166206976

IUPAC(3-indazol-1-ylpyrrolidin-1-yl)-(5-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCC(n4ncc5ccccc54)C3)cc2c1
InChIInChI=1S/C21H20N4O/c1-14-6-7-18-16(10-14)11-19(23-18)21(26)24-9-8-17(13-24)25-20-5-3-2-4-15(20)12-22-25/h2-7,10-12,17,23H,8-9,13H2,1H3
InChIKeyKUKYGGKIYLYGJS-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.91
Rot. Bonds2

About (3-indazol-1-ylpyrrolidin-1-yl)-(5-methyl-1H-indol-2-yl)methanone

(3-indazol-1-ylpyrrolidin-1-yl)-(5-methyl-1H-indol-2-yl)methanone (PubChem CID 166206976) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is (3-indazol-1-ylpyrrolidin-1-yl)-(5-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(3-indazol-1-ylpyrrolidin-1-yl)-(5-methyl-1H-indol-2-yl)methanone
PubChem CID166206976
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name(3-indazol-1-ylpyrrolidin-1-yl)-(5-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCC(n4ncc5ccccc54)C3)cc2c1
InChIInChI=1S/C21H20N4O/c1-14-6-7-18-16(10-14)11-19(23-18)21(26)24-9-8-17(13-24)25-20-5-3-2-4-15(20)12-22-25/h2-7,10-12,17,23H,8-9,13H2,1H3
InChIKeyKUKYGGKIYLYGJS-UHFFFAOYSA-N
XLogP3.91
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-(5-methyl-1H-indol-2-yl)methanone
CID 98741991
(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-methyl-1H-indol-2-yl)methanone
CID 50958229
1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxamide
CID 7326182
(5-methyl-1H-indol-2-yl)-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone
CID 95584856
cyclopropyl-[4-(5-methylindazol-1-yl)piperidin-1-yl]methanone
CID 142607961
(5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 3403714
(5-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 4210929
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 49349124
[(4aR,8aS)-1-(5-methyl-1H-indole-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-pyridin-2-ylmethanone
CID 29088321
(4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 51107649

Frequently Asked Questions

What is the IUPAC name of (3-indazol-1-ylpyrrolidin-1-yl)-(5-methyl-1H-indol-2-yl)methanone?
The IUPAC name of (3-indazol-1-ylpyrrolidin-1-yl)-(5-methyl-1H-indol-2-yl)methanone (CID 166206976) is (3-indazol-1-ylpyrrolidin-1-yl)-(5-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for (3-indazol-1-ylpyrrolidin-1-yl)-(5-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for (3-indazol-1-ylpyrrolidin-1-yl)-(5-methyl-1H-indol-2-yl)methanone is Cc1ccc2[nH]c(C(=O)N3CCC(n4ncc5ccccc54)C3)cc2c1.
What is the InChIKey of (3-indazol-1-ylpyrrolidin-1-yl)-(5-methyl-1H-indol-2-yl)methanone?
The InChIKey is KUKYGGKIYLYGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-14-6-7-18-16(10-14)11-19(23-18)21(26)24-9-8-17(13-24)25-20-5-3-2-4-15(20)12-22-25/h2-7,10-12,17,23H,8-9,13H2,1H3.
What are the key properties of (3-indazol-1-ylpyrrolidin-1-yl)-(5-methyl-1H-indol-2-yl)methanone?
(3-indazol-1-ylpyrrolidin-1-yl)-(5-methyl-1H-indol-2-yl)methanone has a molecular weight of 344.42 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-indazol-1-ylpyrrolidin-1-yl)-(5-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 166206976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).