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

C23H24N8O — CID 44597165

IUPAC(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-phenylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1
InChIInChI=1S/C23H24N8O/c32-22(24-16-6-2-1-3-7-16)19-9-4-12-30(19)23-26-21(18-8-5-13-31(18)29-23)25-20-14-17(27-28-20)15-10-11-15/h1-3,5-8,13-15,19H,4,9-12H2,(H,24,32)(H2,25,26,27,28,29)/t19-/m0/s1
InChIKeyRPLGLPFQGFBRBL-IBGZPJMESA-N
MW428.50 g/mol
LogP3.68
Rot. Bonds6

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

(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-phenylpyrrolidine-2-carboxamide (PubChem CID 44597165) has the molecular formula C23H24N8O and a molecular weight of 428.50 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-phenylpyrrolidine-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-phenylpyrrolidine-2-carboxamide
PubChem CID44597165
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-phenylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1
InChIInChI=1S/C23H24N8O/c32-22(24-16-6-2-1-3-7-16)19-9-4-12-30(19)23-26-21(18-8-5-13-31(18)29-23)25-20-14-17(27-28-20)15-10-11-15/h1-3,5-8,13-15,19H,4,9-12H2,(H,24,32)(H2,25,26,27,28,29)/t19-/m0/s1
InChIKeyRPLGLPFQGFBRBL-IBGZPJMESA-N
XLogP3.68
TPSA103.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.68
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-phenylpyrrolidine-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-phenylpyrrolidine-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-phenylpyrrolidine-2-carboxamide (CID 44597165) is (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-phenylpyrrolidine-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-phenylpyrrolidine-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-phenylpyrrolidine-2-carboxamide is O=C(Nc1ccccc1)[C@@H]1CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1.
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-phenylpyrrolidine-2-carboxamide?
The InChIKey is RPLGLPFQGFBRBL-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24N8O/c32-22(24-16-6-2-1-3-7-16)19-9-4-12-30(19)23-26-21(18-8-5-13-31(18)29-23)25-20-14-17(27-28-20)15-10-11-15/h1-3,5-8,13-15,19H,4,9-12H2,(H,24,32)(H2,25,26,27,28,29)/t19-/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-phenylpyrrolidine-2-carboxamide?
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 3.68, 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-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 44597165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).