6-(4-chlorophenyl)-3-[6-[3-(3-hydroxyazetidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one

C24H23ClN6O2 — CID 45279869

IUPAC6-(4-chlorophenyl)-3-[6-[3-(3-hydroxyazetidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESO=c1c2cc(-c3ccc(Cl)cc3)cn2ncn1-c1ccc(N2CCC(N3CC(O)C3)C2)nc1
InChIInChI=1S/C24H23ClN6O2/c25-18-3-1-16(2-4-18)17-9-22-24(33)30(15-27-31(22)11-17)19-5-6-23(26-10-19)28-8-7-20(12-28)29-13-21(32)14-29/h1-6,9-11,15,20-21,32H,7-8,12-14H2
InChIKeyNAYKAMBMTPIGPM-UHFFFAOYSA-N
MW462.94 g/mol
LogP2.46
Rot. Bonds4

About 6-(4-chlorophenyl)-3-[6-[3-(3-hydroxyazetidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one

6-(4-chlorophenyl)-3-[6-[3-(3-hydroxyazetidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 45279869) has the molecular formula C24H23ClN6O2 and a molecular weight of 462.94 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-[6-[3-(3-hydroxyazetidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-[6-[3-(3-hydroxyazetidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID45279869
Molecular FormulaC24H23ClN6O2
Molecular Weight462.94 g/mol
Exact Mass462.16
IUPAC Name6-(4-chlorophenyl)-3-[6-[3-(3-hydroxyazetidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESO=c1c2cc(-c3ccc(Cl)cc3)cn2ncn1-c1ccc(N2CCC(N3CC(O)C3)C2)nc1
InChIInChI=1S/C24H23ClN6O2/c25-18-3-1-16(2-4-18)17-9-22-24(33)30(15-27-31(22)11-17)19-5-6-23(26-10-19)28-8-7-20(12-28)29-13-21(32)14-29/h1-6,9-11,15,20-21,32H,7-8,12-14H2
InChIKeyNAYKAMBMTPIGPM-UHFFFAOYSA-N
XLogP2.46
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(4-chlorophenyl)-3-[6-[3-(3-hydroxyazetidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one with MolForge

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Related Compounds

6-(4-Chlorophenyl)-3-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 45279585
6-(5-chloro-2-pyridinyl)-3-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 45278576
6-(4-Chlorophenyl)-3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 45279680
6-(4-Chlorophenyl)-3-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 45279772
6-(4-chlorophenyl)-3-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 45279773
[1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]piperidin-4-yl] (2S)-2-amino-3-methylbutanoate
CID 58423501
4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methoxypyrimidin-4-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 86291999
1-[4-(4-Chlorophenyl)-1-ethyl-1H-pyrrole-2-carbonyl]-4-(pyridin-2-YL)piperazine
CID 53147799
[3-(4-Chlorophenyl)-4-methyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrol-2-yl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 118167571
5-(4-chlorophenyl)-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-2-[[1-[2-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]pyridin-3-yl]-1,2,4-triazol-3-yl]methyl]-1,2,4-triazol-3-one
CID 142564348
5-(4-chlorophenyl)-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-2-[[1-[2-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]pyridin-3-yl]-1,2,4-triazol-3-yl]methyl]-1,2,4-triazol-3-one
CID 142564367
5-(4-chlorophenyl)-2-[[1-[2-(3,3-difluoropyrrolidine-1-carbonyl)pyridin-3-yl]-1,2,4-triazol-3-yl]methyl]-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-3-one
CID 142564410

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-[6-[3-(3-hydroxyazetidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 6-(4-chlorophenyl)-3-[6-[3-(3-hydroxyazetidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 45279869) is 6-(4-chlorophenyl)-3-[6-[3-(3-hydroxyazetidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3-[6-[3-(3-hydroxyazetidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-3-[6-[3-(3-hydroxyazetidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one is O=c1c2cc(-c3ccc(Cl)cc3)cn2ncn1-c1ccc(N2CCC(N3CC(O)C3)C2)nc1.
What is the InChIKey of 6-(4-chlorophenyl)-3-[6-[3-(3-hydroxyazetidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is NAYKAMBMTPIGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O2/c25-18-3-1-16(2-4-18)17-9-22-24(33)30(15-27-31(22)11-17)19-5-6-23(26-10-19)28-8-7-20(12-28)29-13-21(32)14-29/h1-6,9-11,15,20-21,32H,7-8,12-14H2.
What are the key properties of 6-(4-chlorophenyl)-3-[6-[3-(3-hydroxyazetidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one?
6-(4-chlorophenyl)-3-[6-[3-(3-hydroxyazetidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 462.94 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-[6-[3-(3-hydroxyazetidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 45279869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).