N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-fluorophenyl]-2-oxo-1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C34H35F2N9O3 — CID 162434519

IUPACN-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-fluorophenyl]-2-oxo-1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(F)C(=O)N1CCC(c2cc(-c3ccc(NC(=O)c4c5n(n(-c6ccccn6)c4=O)CCCC5)cc3F)c3c(N)ncnn23)CC1
InChIInChI=1S/C34H35F2N9O3/c1-34(2,36)33(48)42-15-11-20(12-16-42)26-18-23(29-30(37)39-19-40-44(26)29)22-10-9-21(17-24(22)35)41-31(46)28-25-7-4-6-14-43(25)45(32(28)47)27-8-3-5-13-38-27/h3,5,8-10,13,17-20H,4,6-7,11-12,14-16H2,1-2H3,(H,41,46)(H2,37,39,40)
InChIKeyKPQGYUFQGKQTDF-UHFFFAOYSA-N
MW655.71 g/mol
LogP4.51
Rot. Bonds6

About N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-fluorophenyl]-2-oxo-1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-fluorophenyl]-2-oxo-1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 162434519) has the molecular formula C34H35F2N9O3 and a molecular weight of 655.71 g/mol. Its IUPAC name is N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-fluorophenyl]-2-oxo-1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-fluorophenyl]-2-oxo-1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID162434519
Molecular FormulaC34H35F2N9O3
Molecular Weight655.71 g/mol
Exact Mass655.28
IUPAC NameN-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-fluorophenyl]-2-oxo-1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(F)C(=O)N1CCC(c2cc(-c3ccc(NC(=O)c4c5n(n(-c6ccccn6)c4=O)CCCC5)cc3F)c3c(N)ncnn23)CC1
InChIInChI=1S/C34H35F2N9O3/c1-34(2,36)33(48)42-15-11-20(12-16-42)26-18-23(29-30(37)39-19-40-44(26)29)22-10-9-21(17-24(22)35)41-31(46)28-25-7-4-6-14-43(25)45(32(28)47)27-8-3-5-13-38-27/h3,5,8-10,13,17-20H,4,6-7,11-12,14-16H2,1-2H3,(H,41,46)(H2,37,39,40)
InChIKeyKPQGYUFQGKQTDF-UHFFFAOYSA-N
XLogP4.51
TPSA145.44 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500655.71
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-fluorophenyl]-2-oxo-1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-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-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-fluorophenyl]-2-oxo-1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-fluorophenyl]-2-oxo-1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 162434519) is N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-fluorophenyl]-2-oxo-1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-fluorophenyl]-2-oxo-1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-fluorophenyl]-2-oxo-1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)(F)C(=O)N1CCC(c2cc(-c3ccc(NC(=O)c4c5n(n(-c6ccccn6)c4=O)CCCC5)cc3F)c3c(N)ncnn23)CC1.
What is the InChIKey of N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-fluorophenyl]-2-oxo-1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is KPQGYUFQGKQTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35F2N9O3/c1-34(2,36)33(48)42-15-11-20(12-16-42)26-18-23(29-30(37)39-19-40-44(26)29)22-10-9-21(17-24(22)35)41-31(46)28-25-7-4-6-14-43(25)45(32(28)47)27-8-3-5-13-38-27/h3,5,8-10,13,17-20H,4,6-7,11-12,14-16H2,1-2H3,(H,41,46)(H2,37,39,40).
What are the key properties of N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-fluorophenyl]-2-oxo-1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-fluorophenyl]-2-oxo-1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 655.71 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-fluorophenyl]-2-oxo-1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 162434519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).