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

C34H36FN9O3 — CID 162434528

IUPACN-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-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)cc3)c3c(N)ncnn23)CC1
InChIInChI=1S/C34H36FN9O3/c1-34(2,35)33(47)41-17-13-22(14-18-41)26-19-24(29-30(36)38-20-39-43(26)29)21-9-11-23(12-10-21)40-31(45)28-25-7-4-6-16-42(25)44(32(28)46)27-8-3-5-15-37-27/h3,5,8-12,15,19-20,22H,4,6-7,13-14,16-18H2,1-2H3,(H,40,45)(H2,36,38,39)
InChIKeyZYJOLUJJMNBYHH-UHFFFAOYSA-N
MW637.72 g/mol
LogP4.37
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]phenyl]-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]phenyl]-2-oxo-1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 162434528) has the molecular formula C34H36FN9O3 and a molecular weight of 637.72 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]phenyl]-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]phenyl]-2-oxo-1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID162434528
Molecular FormulaC34H36FN9O3
Molecular Weight637.72 g/mol
Exact Mass637.29
IUPAC NameN-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-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)cc3)c3c(N)ncnn23)CC1
InChIInChI=1S/C34H36FN9O3/c1-34(2,35)33(47)41-17-13-22(14-18-41)26-19-24(29-30(36)38-20-39-43(26)29)21-9-11-23(12-10-21)40-31(45)28-25-7-4-6-16-42(25)44(32(28)46)27-8-3-5-15-37-27/h3,5,8-12,15,19-20,22H,4,6-7,13-14,16-18H2,1-2H3,(H,40,45)(H2,36,38,39)
InChIKeyZYJOLUJJMNBYHH-UHFFFAOYSA-N
XLogP4.37
TPSA145.44 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.72
LogP ≤ 54.37
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]phenyl]-2-oxo-1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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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]phenyl]-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]phenyl]-2-oxo-1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 162434528) is N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-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]phenyl]-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]phenyl]-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)cc3)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]phenyl]-2-oxo-1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is ZYJOLUJJMNBYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36FN9O3/c1-34(2,35)33(47)41-17-13-22(14-18-41)26-19-24(29-30(36)38-20-39-43(26)29)21-9-11-23(12-10-21)40-31(45)28-25-7-4-6-16-42(25)44(32(28)46)27-8-3-5-15-37-27/h3,5,8-12,15,19-20,22H,4,6-7,13-14,16-18H2,1-2H3,(H,40,45)(H2,36,38,39).
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]phenyl]-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]phenyl]-2-oxo-1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 637.72 g/mol, XLogP of 4.37, 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]phenyl]-2-oxo-1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 162434528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).