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

C35H32F2N8O2 — CID 151992044

IUPACN-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-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(C5CCNCC5)c4)cnc3N)c(F)c2)c(=O)c(-c2ccc(F)cc2)c1C#N
InChIInChI=1S/C35H32F2N8O2/c1-20(2)44-19-29(33(46)32(31(44)15-38)21-3-5-24(36)6-4-21)35(47)43-25-7-8-27(30(37)14-25)28-13-22(16-41-34(28)39)23-17-42-45(18-23)26-9-11-40-12-10-26/h3-8,13-14,16-20,26,40H,9-12H2,1-2H3,(H2,39,41)(H,43,47)
InChIKeyUEWOHGUXXNEFQM-UHFFFAOYSA-N
MW634.69 g/mol
LogP5.93
Rot. Bonds7

About N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-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-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide (PubChem CID 151992044) has the molecular formula C35H32F2N8O2 and a molecular weight of 634.69 g/mol. Its IUPAC name is N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-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-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide
PubChem CID151992044
Molecular FormulaC35H32F2N8O2
Molecular Weight634.69 g/mol
Exact Mass634.26
IUPAC NameN-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-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(C5CCNCC5)c4)cnc3N)c(F)c2)c(=O)c(-c2ccc(F)cc2)c1C#N
InChIInChI=1S/C35H32F2N8O2/c1-20(2)44-19-29(33(46)32(31(44)15-38)21-3-5-24(36)6-4-21)35(47)43-25-7-8-27(30(37)14-25)28-13-22(16-41-34(28)39)23-17-42-45(18-23)26-9-11-40-12-10-26/h3-8,13-14,16-20,26,40H,9-12H2,1-2H3,(H2,39,41)(H,43,47)
InChIKeyUEWOHGUXXNEFQM-UHFFFAOYSA-N
XLogP5.93
TPSA143.65 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.69
LogP ≤ 55.93
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-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-piperidin-4-ylpyrazol-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-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide (CID 151992044) is N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-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-piperidin-4-ylpyrazol-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-piperidin-4-ylpyrazol-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(C5CCNCC5)c4)cnc3N)c(F)c2)c(=O)c(-c2ccc(F)cc2)c1C#N.
What is the InChIKey of N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The InChIKey is UEWOHGUXXNEFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32F2N8O2/c1-20(2)44-19-29(33(46)32(31(44)15-38)21-3-5-24(36)6-4-21)35(47)43-25-7-8-27(30(37)14-25)28-13-22(16-41-34(28)39)23-17-42-45(18-23)26-9-11-40-12-10-26/h3-8,13-14,16-20,26,40H,9-12H2,1-2H3,(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-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide has a molecular weight of 634.69 g/mol, XLogP of 5.93, 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-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 151992044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).