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

C22H23N9O — CID 24824686

IUPACN-cyclopropyl-3-[[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CC1)c1cc(Nc2nc(N3CCC[C@H]3c3ccccn3)nn3cccc23)n[nH]1
InChIInChI=1S/C22H23N9O/c32-21(24-14-8-9-14)16-13-19(28-27-16)25-20-18-7-4-12-31(18)29-22(26-20)30-11-3-6-17(30)15-5-1-2-10-23-15/h1-2,4-5,7,10,12-14,17H,3,6,8-9,11H2,(H,24,32)(H2,25,26,27,28,29)/t17-/m0/s1
InChIKeyYGLHDGZMBCCLBJ-KRWDZBQOSA-N
MW429.49 g/mol
LogP2.82
Rot. Bonds6

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

N-cyclopropyl-3-[[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide (PubChem CID 24824686) has the molecular formula C22H23N9O and a molecular weight of 429.49 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide
PubChem CID24824686
Molecular FormulaC22H23N9O
Molecular Weight429.49 g/mol
Exact Mass429.20
IUPAC NameN-cyclopropyl-3-[[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CC1)c1cc(Nc2nc(N3CCC[C@H]3c3ccccn3)nn3cccc23)n[nH]1
InChIInChI=1S/C22H23N9O/c32-21(24-14-8-9-14)16-13-19(28-27-16)25-20-18-7-4-12-31(18)29-22(26-20)30-11-3-6-17(30)15-5-1-2-10-23-15/h1-2,4-5,7,10,12-14,17H,3,6,8-9,11H2,(H,24,32)(H2,25,26,27,28,29)/t17-/m0/s1
InChIKeyYGLHDGZMBCCLBJ-KRWDZBQOSA-N
XLogP2.82
TPSA116.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-cyclopropyl-3-[[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-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 N-cyclopropyl-3-[[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-[[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide (CID 24824686) is N-cyclopropyl-3-[[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide is O=C(NC1CC1)c1cc(Nc2nc(N3CCC[C@H]3c3ccccn3)nn3cccc23)n[nH]1.
What is the InChIKey of N-cyclopropyl-3-[[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide?
The InChIKey is YGLHDGZMBCCLBJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H23N9O/c32-21(24-14-8-9-14)16-13-19(28-27-16)25-20-18-7-4-12-31(18)29-22(26-20)30-11-3-6-17(30)15-5-1-2-10-23-15/h1-2,4-5,7,10,12-14,17H,3,6,8-9,11H2,(H,24,32)(H2,25,26,27,28,29)/t17-/m0/s1.
What are the key properties of N-cyclopropyl-3-[[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide?
N-cyclopropyl-3-[[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide has a molecular weight of 429.49 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 24824686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).