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

C33H27F2N7O2 — CID 146424693

IUPACN-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide
SMILESCCn1cc(-c2cnc(N)c(-c3ccc(NC(=O)c4cn(C5CCC5)c(C#N)c(-c5ccc(F)cc5)c4=O)cc3F)c2)cn1
InChIInChI=1S/C33H27F2N7O2/c1-2-41-17-21(16-39-41)20-12-26(32(37)38-15-20)25-11-10-23(13-28(25)35)40-33(44)27-18-42(24-4-3-5-24)29(14-36)30(31(27)43)19-6-8-22(34)9-7-19/h6-13,15-18,24H,2-5H2,1H3,(H2,37,38)(H,40,44)
InChIKeyMGACAAVRHRTSLJ-UHFFFAOYSA-N
MW591.62 g/mol
LogP6.17
Rot. Bonds7

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

N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide (PubChem CID 146424693) has the molecular formula C33H27F2N7O2 and a molecular weight of 591.62 g/mol. Its IUPAC name is N-[4-[2-amino-5-(1-ethylpyrazol-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-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide
PubChem CID146424693
Molecular FormulaC33H27F2N7O2
Molecular Weight591.62 g/mol
Exact Mass591.22
IUPAC NameN-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide
SMILESCCn1cc(-c2cnc(N)c(-c3ccc(NC(=O)c4cn(C5CCC5)c(C#N)c(-c5ccc(F)cc5)c4=O)cc3F)c2)cn1
InChIInChI=1S/C33H27F2N7O2/c1-2-41-17-21(16-39-41)20-12-26(32(37)38-15-20)25-11-10-23(13-28(25)35)40-33(44)27-18-42(24-4-3-5-24)29(14-36)30(31(27)43)19-6-8-22(34)9-7-19/h6-13,15-18,24H,2-5H2,1H3,(H2,37,38)(H,40,44)
InChIKeyMGACAAVRHRTSLJ-UHFFFAOYSA-N
XLogP6.17
TPSA131.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.62
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[2-amino-5-(1-ethylpyrazol-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-ethylpyrazol-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-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide (CID 146424693) is N-[4-[2-amino-5-(1-ethylpyrazol-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-ethylpyrazol-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-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide is CCn1cc(-c2cnc(N)c(-c3ccc(NC(=O)c4cn(C5CCC5)c(C#N)c(-c5ccc(F)cc5)c4=O)cc3F)c2)cn1.
What is the InChIKey of N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide?
The InChIKey is MGACAAVRHRTSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27F2N7O2/c1-2-41-17-21(16-39-41)20-12-26(32(37)38-15-20)25-11-10-23(13-28(25)35)40-33(44)27-18-42(24-4-3-5-24)29(14-36)30(31(27)43)19-6-8-22(34)9-7-19/h6-13,15-18,24H,2-5H2,1H3,(H2,37,38)(H,40,44).
What are the key properties of N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide?
N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide has a molecular weight of 591.62 g/mol, XLogP of 6.17, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-6-cyano-1-cyclobutyl-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 146424693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).