(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrrolidine-2-carboxamide

C24H30F3N9O — CID 66971773

IUPAC(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrrolidine-2-carboxamide
SMILESO=C(N[C@@H]1CCCN(CC(F)(F)F)C1)[C@@H]1CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)n2cccc2n1
InChIInChI=1S/C24H30F3N9O/c25-24(26,27)14-34-9-1-4-16(13-34)28-21(37)18-5-2-10-35(18)23-30-20-6-3-11-36(20)22(31-23)29-19-12-17(32-33-19)15-7-8-15/h3,6,11-12,15-16,18H,1-2,4-5,7-10,13-14H2,(H,28,37)(H2,29,30,31,32,33)/t16-,18+/m1/s1
InChIKeyZPTGPMFUIIPIQT-AEFFLSMTSA-N
MW517.56 g/mol
LogP3.19
Rot. Bonds7

About (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrrolidine-2-carboxamide

(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrrolidine-2-carboxamide (PubChem CID 66971773) has the molecular formula C24H30F3N9O and a molecular weight of 517.56 g/mol. Its IUPAC name is (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrrolidine-2-carboxamide
PubChem CID66971773
Molecular FormulaC24H30F3N9O
Molecular Weight517.56 g/mol
Exact Mass517.25
IUPAC Name(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrrolidine-2-carboxamide
SMILESO=C(N[C@@H]1CCCN(CC(F)(F)F)C1)[C@@H]1CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)n2cccc2n1
InChIInChI=1S/C24H30F3N9O/c25-24(26,27)14-34-9-1-4-16(13-34)28-21(37)18-5-2-10-35(18)23-30-20-6-3-11-36(20)22(31-23)29-19-12-17(32-33-19)15-7-8-15/h3,6,11-12,15-16,18H,1-2,4-5,7-10,13-14H2,(H,28,37)(H2,29,30,31,32,33)/t16-,18+/m1/s1
InChIKeyZPTGPMFUIIPIQT-AEFFLSMTSA-N
XLogP3.19
TPSA106.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.56
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrrolidine-2-carboxamide (CID 66971773) is (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrrolidine-2-carboxamide is O=C(N[C@@H]1CCCN(CC(F)(F)F)C1)[C@@H]1CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)n2cccc2n1.
What is the InChIKey of (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is ZPTGPMFUIIPIQT-AEFFLSMTSA-N. The full InChI is InChI=1S/C24H30F3N9O/c25-24(26,27)14-34-9-1-4-16(13-34)28-21(37)18-5-2-10-35(18)23-30-20-6-3-11-36(20)22(31-23)29-19-12-17(32-33-19)15-7-8-15/h3,6,11-12,15-16,18H,1-2,4-5,7-10,13-14H2,(H,28,37)(H2,29,30,31,32,33)/t16-,18+/m1/s1.
What are the key properties of (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrrolidine-2-carboxamide?
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 517.56 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 66971773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).