2-[3-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine

C20H20ClN7 — CID 68845007

IUPAC2-[3-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine
SMILESCc1cc(Nc2nc(N3CCC(c4cccc(Cl)c4)C3)nc3cccn23)n[nH]1
InChIInChI=1S/C20H20ClN7/c1-13-10-17(26-25-13)22-20-24-19(23-18-6-3-8-28(18)20)27-9-7-15(12-27)14-4-2-5-16(21)11-14/h2-6,8,10-11,15H,7,9,12H2,1H3,(H2,22,23,24,25,26)
InChIKeyHHAHRHKQSSLVIV-UHFFFAOYSA-N
MW393.88 g/mol
LogP4.15
Rot. Bonds4

About 2-[3-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine

2-[3-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine (PubChem CID 68845007) has the molecular formula C20H20ClN7 and a molecular weight of 393.88 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine
PubChem CID68845007
Molecular FormulaC20H20ClN7
Molecular Weight393.88 g/mol
Exact Mass393.15
IUPAC Name2-[3-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine
SMILESCc1cc(Nc2nc(N3CCC(c4cccc(Cl)c4)C3)nc3cccn23)n[nH]1
InChIInChI=1S/C20H20ClN7/c1-13-10-17(26-25-13)22-20-24-19(23-18-6-3-8-28(18)20)27-9-7-15(12-27)14-4-2-5-16(21)11-14/h2-6,8,10-11,15H,7,9,12H2,1H3,(H2,22,23,24,25,26)
InChIKeyHHAHRHKQSSLVIV-UHFFFAOYSA-N
XLogP4.15
TPSA74.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine with MolForge

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Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine
CID 68844084
2-(2-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine
CID 67135837
N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]piperidin-4-yl]acetamide
CID 68842046
(2S)-1-[4-[[5-(1-hydroxycyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carboxylic acid
CID 66971752
3-[3-(3-chlorophenyl)pyrrolidin-1-yl]-5-(5-methylfuran-2-yl)-1,2,4-triazine
CID 56707911
(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]methanone
CID 66985005
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N,N,2-trimethylpyrrolidine-2-carboxamide
CID 66971627
(2S)-N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carboxamide
CID 66971583
4-[[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carbonyl]amino]benzoic acid
CID 66971760
5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole
CID 77080836
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-(4-fluorophenyl)-2-methylpyrrolidine-2-carboxamide
CID 66971719
2-chloro-7-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine
CID 87343896

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine?
The IUPAC name of 2-[3-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine (CID 68845007) is 2-[3-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 2-[3-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine?
The canonical SMILES for 2-[3-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine is Cc1cc(Nc2nc(N3CCC(c4cccc(Cl)c4)C3)nc3cccn23)n[nH]1.
What is the InChIKey of 2-[3-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine?
The InChIKey is HHAHRHKQSSLVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN7/c1-13-10-17(26-25-13)22-20-24-19(23-18-6-3-8-28(18)20)27-9-7-15(12-27)14-4-2-5-16(21)11-14/h2-6,8,10-11,15H,7,9,12H2,1H3,(H2,22,23,24,25,26).
What are the key properties of 2-[3-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine?
2-[3-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine has a molecular weight of 393.88 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 68845007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).