N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(5-fluoro-3-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide

C36H35FN8O4 — CID 130466330

IUPACN-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(5-fluoro-3-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCC(C)C(=O)N1CCC(c2cc(-c3ccc(NC(=O)c4cc5c(n(-c6cncc(F)c6)c4=O)CCCC5=O)cc3)c3c(N)ncnn23)CC1
InChIInChI=1S/C36H35FN8O4/c1-20(2)35(48)43-12-10-22(11-13-43)30-16-26(32-33(38)40-19-41-45(30)32)21-6-8-24(9-7-21)42-34(47)28-15-27-29(4-3-5-31(27)46)44(36(28)49)25-14-23(37)17-39-18-25/h6-9,14-20,22H,3-5,10-13H2,1-2H3,(H,42,47)(H2,38,40,41)
InChIKeyHGCBYFSUGMNLRS-UHFFFAOYSA-N
MW662.73 g/mol
LogP4.80
Rot. Bonds6

About N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(5-fluoro-3-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide

N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(5-fluoro-3-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide (PubChem CID 130466330) has the molecular formula C36H35FN8O4 and a molecular weight of 662.73 g/mol. Its IUPAC name is N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(5-fluoro-3-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(5-fluoro-3-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
PubChem CID130466330
Molecular FormulaC36H35FN8O4
Molecular Weight662.73 g/mol
Exact Mass662.28
IUPAC NameN-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(5-fluoro-3-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCC(C)C(=O)N1CCC(c2cc(-c3ccc(NC(=O)c4cc5c(n(-c6cncc(F)c6)c4=O)CCCC5=O)cc3)c3c(N)ncnn23)CC1
InChIInChI=1S/C36H35FN8O4/c1-20(2)35(48)43-12-10-22(11-13-43)30-16-26(32-33(38)40-19-41-45(30)32)21-6-8-24(9-7-21)42-34(47)28-15-27-29(4-3-5-31(27)46)44(36(28)49)25-14-23(37)17-39-18-25/h6-9,14-20,22H,3-5,10-13H2,1-2H3,(H,42,47)(H2,38,40,41)
InChIKeyHGCBYFSUGMNLRS-UHFFFAOYSA-N
XLogP4.80
TPSA157.58 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500662.73
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(5-fluoro-3-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-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-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(5-fluoro-3-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The IUPAC name of N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(5-fluoro-3-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide (CID 130466330) is N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(5-fluoro-3-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide.
What is the SMILES notation for N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(5-fluoro-3-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The canonical SMILES for N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(5-fluoro-3-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide is CC(C)C(=O)N1CCC(c2cc(-c3ccc(NC(=O)c4cc5c(n(-c6cncc(F)c6)c4=O)CCCC5=O)cc3)c3c(N)ncnn23)CC1.
What is the InChIKey of N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(5-fluoro-3-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The InChIKey is HGCBYFSUGMNLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35FN8O4/c1-20(2)35(48)43-12-10-22(11-13-43)30-16-26(32-33(38)40-19-41-45(30)32)21-6-8-24(9-7-21)42-34(47)28-15-27-29(4-3-5-31(27)46)44(36(28)49)25-14-23(37)17-39-18-25/h6-9,14-20,22H,3-5,10-13H2,1-2H3,(H,42,47)(H2,38,40,41).
What are the key properties of N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(5-fluoro-3-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(5-fluoro-3-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide has a molecular weight of 662.73 g/mol, XLogP of 4.80, 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-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(5-fluoro-3-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide is sourced from PubChem (CID 130466330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).