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

C36H32F2N8O2 — CID 146424675

IUPACN-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-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)cn1C1CCC1
InChIInChI=1S/C36H32F2N8O2/c37-24-6-4-21(5-7-24)33-32(16-39)45(26-2-1-3-26)20-30(34(33)47)36(48)44-25-8-9-28(31(38)15-25)29-14-22(17-42-35(29)40)23-18-43-46(19-23)27-10-12-41-13-11-27/h4-9,14-15,17-20,26-27,41H,1-3,10-13H2,(H2,40,42)(H,44,48)
InChIKeySBUSRSCDXPJPBP-UHFFFAOYSA-N
MW646.70 g/mol
LogP6.07
Rot. Bonds7

About N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-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-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide (PubChem CID 146424675) has the molecular formula C36H32F2N8O2 and a molecular weight of 646.70 g/mol. Its IUPAC name is N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-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-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide
PubChem CID146424675
Molecular FormulaC36H32F2N8O2
Molecular Weight646.70 g/mol
Exact Mass646.26
IUPAC NameN-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-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)cn1C1CCC1
InChIInChI=1S/C36H32F2N8O2/c37-24-6-4-21(5-7-24)33-32(16-39)45(26-2-1-3-26)20-30(34(33)47)36(48)44-25-8-9-28(31(38)15-25)29-14-22(17-42-35(29)40)23-18-43-46(19-23)27-10-12-41-13-11-27/h4-9,14-15,17-20,26-27,41H,1-3,10-13H2,(H2,40,42)(H,44,48)
InChIKeySBUSRSCDXPJPBP-UHFFFAOYSA-N
XLogP6.07
TPSA143.65 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.70
LogP ≤ 56.07
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-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide with MolForge

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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-cyclobutyl-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-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide (CID 146424675) is N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-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-cyclobutyl-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-cyclobutyl-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)cn1C1CCC1.
What is the InChIKey of N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide?
The InChIKey is SBUSRSCDXPJPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32F2N8O2/c37-24-6-4-21(5-7-24)33-32(16-39)45(26-2-1-3-26)20-30(34(33)47)36(48)44-25-8-9-28(31(38)15-25)29-14-22(17-42-35(29)40)23-18-43-46(19-23)27-10-12-41-13-11-27/h4-9,14-15,17-20,26-27,41H,1-3,10-13H2,(H2,40,42)(H,44,48).
What are the key properties of N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-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-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide has a molecular weight of 646.70 g/mol, XLogP of 6.07, 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-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 146424675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).