N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide

C35H30F2N8O2 — CID 146432426

IUPACN-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide
SMILESN#Cc1c(-c2ccc(F)cc2)c(=O)c(C(=O)Nc2ccc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)c(F)c2)cn1C1CC1
InChIInChI=1S/C35H30F2N8O2/c36-23-3-1-20(2-4-23)32-31(15-38)44(25-6-7-25)19-29(33(32)46)35(47)43-24-5-8-27(30(37)14-24)28-13-21(16-41-34(28)39)22-17-42-45(18-22)26-9-11-40-12-10-26/h1-5,8,13-14,16-19,25-26,40H,6-7,9-12H2,(H2,39,41)(H,43,47)
InChIKeyCXMIXOXZSXIVGQ-UHFFFAOYSA-N
MW632.68 g/mol
LogP5.68
Rot. Bonds7

About N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide

N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide (PubChem CID 146432426) has the molecular formula C35H30F2N8O2 and a molecular weight of 632.68 g/mol. Its IUPAC name is N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide
PubChem CID146432426
Molecular FormulaC35H30F2N8O2
Molecular Weight632.68 g/mol
Exact Mass632.25
IUPAC NameN-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide
SMILESN#Cc1c(-c2ccc(F)cc2)c(=O)c(C(=O)Nc2ccc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)c(F)c2)cn1C1CC1
InChIInChI=1S/C35H30F2N8O2/c36-23-3-1-20(2-4-23)32-31(15-38)44(25-6-7-25)19-29(33(32)46)35(47)43-24-5-8-27(30(37)14-24)28-13-21(16-41-34(28)39)22-17-42-45(18-22)26-9-11-40-12-10-26/h1-5,8,13-14,16-19,25-26,40H,6-7,9-12H2,(H2,39,41)(H,43,47)
InChIKeyCXMIXOXZSXIVGQ-UHFFFAOYSA-N
XLogP5.68
TPSA143.65 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.68
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-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-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide (CID 146432426) is N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide is N#Cc1c(-c2ccc(F)cc2)c(=O)c(C(=O)Nc2ccc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)c(F)c2)cn1C1CC1.
What is the InChIKey of N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide?
The InChIKey is CXMIXOXZSXIVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30F2N8O2/c36-23-3-1-20(2-4-23)32-31(15-38)44(25-6-7-25)19-29(33(32)46)35(47)43-24-5-8-27(30(37)14-24)28-13-21(16-41-34(28)39)22-17-42-45(18-22)26-9-11-40-12-10-26/h1-5,8,13-14,16-19,25-26,40H,6-7,9-12H2,(H2,39,41)(H,43,47).
What are the key properties of N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide?
N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide has a molecular weight of 632.68 g/mol, XLogP of 5.68, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclopropyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 146432426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).