N-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide

C36H34F2N8O2 — CID 146424744

IUPACN-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2ccc(-c3cc(-c4cnn(C5CCN(C)CC5)c4)cnc3N)c(F)c2)c(=O)c(-c2ccc(F)cc2)c1C#N
InChIInChI=1S/C36H34F2N8O2/c1-21(2)45-20-30(34(47)33(32(45)16-39)22-4-6-25(37)7-5-22)36(48)43-26-8-9-28(31(38)15-26)29-14-23(17-41-35(29)40)24-18-42-46(19-24)27-10-12-44(3)13-11-27/h4-9,14-15,17-21,27H,10-13H2,1-3H3,(H2,40,41)(H,43,48)
InChIKeyZNDNHPINJIFMLA-UHFFFAOYSA-N
MW648.72 g/mol
LogP6.27
Rot. Bonds7

About N-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide

N-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide (PubChem CID 146424744) has the molecular formula C36H34F2N8O2 and a molecular weight of 648.72 g/mol. Its IUPAC name is N-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide
PubChem CID146424744
Molecular FormulaC36H34F2N8O2
Molecular Weight648.72 g/mol
Exact Mass648.28
IUPAC NameN-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2ccc(-c3cc(-c4cnn(C5CCN(C)CC5)c4)cnc3N)c(F)c2)c(=O)c(-c2ccc(F)cc2)c1C#N
InChIInChI=1S/C36H34F2N8O2/c1-21(2)45-20-30(34(47)33(32(45)16-39)22-4-6-25(37)7-5-22)36(48)43-26-8-9-28(31(38)15-26)29-14-23(17-41-35(29)40)24-18-42-46(19-24)27-10-12-44(3)13-11-27/h4-9,14-15,17-21,27H,10-13H2,1-3H3,(H2,40,41)(H,43,48)
InChIKeyZNDNHPINJIFMLA-UHFFFAOYSA-N
XLogP6.27
TPSA134.86 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.72
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide (CID 146424744) is N-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide is CC(C)n1cc(C(=O)Nc2ccc(-c3cc(-c4cnn(C5CCN(C)CC5)c4)cnc3N)c(F)c2)c(=O)c(-c2ccc(F)cc2)c1C#N.
What is the InChIKey of N-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The InChIKey is ZNDNHPINJIFMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34F2N8O2/c1-21(2)45-20-30(34(47)33(32(45)16-39)22-4-6-25(37)7-5-22)36(48)43-26-8-9-28(31(38)15-26)29-14-23(17-41-35(29)40)24-18-42-46(19-24)27-10-12-44(3)13-11-27/h4-9,14-15,17-21,27H,10-13H2,1-3H3,(H2,40,41)(H,43,48).
What are the key properties of N-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
N-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide has a molecular weight of 648.72 g/mol, XLogP of 6.27, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 146424744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).