2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]ethanone

C26H31N9O — CID 58277598

IUPAC2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]ethanone
SMILESCn1nc(C2CC2)cc1CC(=O)[C@]1(C)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1
InChIInChI=1S/C26H31N9O/c1-26(22(36)14-18-13-20(17-8-9-17)31-33(18)2)10-4-11-34(26)25-28-24(21-5-3-12-35(21)32-25)27-23-15-19(29-30-23)16-6-7-16/h3,5,12-13,15-17H,4,6-11,14H2,1-2H3,(H2,27,28,29,30,32)/t26-/m0/s1
InChIKeyFCOVFVCZWYHXJP-SANMLTNESA-N
MW485.60 g/mol
LogP3.86
Rot. Bonds8

About 2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]ethanone

2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]ethanone (PubChem CID 58277598) has the molecular formula C26H31N9O and a molecular weight of 485.60 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]ethanone
PubChem CID58277598
Molecular FormulaC26H31N9O
Molecular Weight485.60 g/mol
Exact Mass485.27
IUPAC Name2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]ethanone
SMILESCn1nc(C2CC2)cc1CC(=O)[C@]1(C)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1
InChIInChI=1S/C26H31N9O/c1-26(22(36)14-18-13-20(17-8-9-17)31-33(18)2)10-4-11-34(26)25-28-24(21-5-3-12-35(21)32-25)27-23-15-19(29-30-23)16-6-7-16/h3,5,12-13,15-17H,4,6-11,14H2,1-2H3,(H2,27,28,29,30,32)/t26-/m0/s1
InChIKeyFCOVFVCZWYHXJP-SANMLTNESA-N
XLogP3.86
TPSA109.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.60
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]ethanone with MolForge

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Related Compounds

1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]-2-(2-ethylpyrazol-3-yl)ethanone
CID 147430472
1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 58277682
1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]-2-(2,6-dichloro-3-pyridinyl)ethanone
CID 58277607
1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 161379547
2-(5-chloro-1,3-thiazol-2-yl)-1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]ethanone
CID 58277740
1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]-2-piperidin-3-ylethanone
CID 58277678
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 24785537
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-2-methylpyrrolidine-2-carboxamide
CID 24785538
(2S)-2-methyl-1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidine-2-carboxamide
CID 90243337
3-[[2-[(2S)-2-[2-(6-amino-3-pyridinyl)acetyl]-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide
CID 58277746
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58095931
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,2-dimethylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(1,3,4-thiadiazol-2-yl)acetaldehyde
CID 123341732

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]ethanone?
The IUPAC name of 2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]ethanone (CID 58277598) is 2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]ethanone is Cn1nc(C2CC2)cc1CC(=O)[C@]1(C)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1.
What is the InChIKey of 2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]ethanone?
The InChIKey is FCOVFVCZWYHXJP-SANMLTNESA-N. The full InChI is InChI=1S/C26H31N9O/c1-26(22(36)14-18-13-20(17-8-9-17)31-33(18)2)10-4-11-34(26)25-28-24(21-5-3-12-35(21)32-25)27-23-15-19(29-30-23)16-6-7-16/h3,5,12-13,15-17H,4,6-11,14H2,1-2H3,(H2,27,28,29,30,32)/t26-/m0/s1.
What are the key properties of 2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]ethanone?
2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]ethanone has a molecular weight of 485.60 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 58277598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).