(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide

C24H26N8O — CID 44597166

IUPAC(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCN2c2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3n2)cc1
InChIInChI=1S/C24H26N8O/c1-15-6-10-17(11-7-15)25-23(33)20-5-2-12-31(20)24-27-22(19-4-3-13-32(19)30-24)26-21-14-18(28-29-21)16-8-9-16/h3-4,6-7,10-11,13-14,16,20H,2,5,8-9,12H2,1H3,(H,25,33)(H2,26,27,28,29,30)/t20-/m0/s1
InChIKeyMHMZAQRFOMCIRZ-FQEVSTJZSA-N
MW442.53 g/mol
LogP3.99
Rot. Bonds6

About (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide

(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 44597166) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID44597166
Molecular FormulaC24H26N8O
Molecular Weight442.53 g/mol
Exact Mass442.22
IUPAC Name(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCN2c2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3n2)cc1
InChIInChI=1S/C24H26N8O/c1-15-6-10-17(11-7-15)25-23(33)20-5-2-12-31(20)24-27-22(19-4-3-13-32(19)30-24)26-21-14-18(28-29-21)16-8-9-16/h3-4,6-7,10-11,13-14,16,20H,2,5,8-9,12H2,1H3,(H,25,33)(H2,26,27,28,29,30)/t20-/m0/s1
InChIKeyMHMZAQRFOMCIRZ-FQEVSTJZSA-N
XLogP3.99
TPSA103.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide (CID 44597166) is (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide is Cc1ccc(NC(=O)[C@@H]2CCCN2c2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3n2)cc1.
What is the InChIKey of (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is MHMZAQRFOMCIRZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H26N8O/c1-15-6-10-17(11-7-15)25-23(33)20-5-2-12-31(20)24-27-22(19-4-3-13-32(19)30-24)26-21-14-18(28-29-21)16-8-9-16/h3-4,6-7,10-11,13-14,16,20H,2,5,8-9,12H2,1H3,(H,25,33)(H2,26,27,28,29,30)/t20-/m0/s1.
What are the key properties of (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 442.53 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 44597166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).