N-[3-fluoro-4-[6-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

C31H21F2N5O4 — CID 118203945

IUPACN-[3-fluoro-4-[6-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(-c2cc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)c3ccnn3c2)cn1
InChIInChI=1S/C31H21F2N5O4/c1-41-29-11-4-19(17-34-29)20-15-28(26-12-13-35-38(26)18-20)42-27-10-7-22(16-25(27)33)36-30(39)24-3-2-14-37(31(24)40)23-8-5-21(32)6-9-23/h2-18H,1H3,(H,36,39)
InChIKeyJMSGJVRGJWJAFN-UHFFFAOYSA-N
MW565.54 g/mol
LogP5.88
Rot. Bonds7

About N-[3-fluoro-4-[6-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

N-[3-fluoro-4-[6-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 118203945) has the molecular formula C31H21F2N5O4 and a molecular weight of 565.54 g/mol. Its IUPAC name is N-[3-fluoro-4-[6-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[6-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID118203945
Molecular FormulaC31H21F2N5O4
Molecular Weight565.54 g/mol
Exact Mass565.16
IUPAC NameN-[3-fluoro-4-[6-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(-c2cc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)c3ccnn3c2)cn1
InChIInChI=1S/C31H21F2N5O4/c1-41-29-11-4-19(17-34-29)20-15-28(26-12-13-35-38(26)18-20)42-27-10-7-22(16-25(27)33)36-30(39)24-3-2-14-37(31(24)40)23-8-5-21(32)6-9-23/h2-18H,1H3,(H,36,39)
InChIKeyJMSGJVRGJWJAFN-UHFFFAOYSA-N
XLogP5.88
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.54
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Jsm-10292
CID 25019714
1-{4-methyl-3-[2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinolin-8-yloxymethyl]-pyridin-2-ylmethyl}-3-trifluoromethyl-1H-pyridin-2-one
CID 44191040
2,2,2-trifluoro-N-((1R,2S)-1-(1-(4-fluorophenyl)-1H-indazol-5-yloxy)-1-(quinolin-3-yl)propan-2-yl)acetamide
CID 59339621
N-[4-[[2-(1,3-dimethylpyrazol-4-yl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 156138575
N-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 156138911
2,2-difluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxy-3-pyridinyl)-3-methylbutan-2-yl]propanamide
CID 145964914
2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 25242540
1-[(3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 130247799
N-[4-[[2-(1-cyclopropylpyrazol-4-yl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 156138579
N-[2,5-difluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 156138585
3-(4-fluorophenyl)-N-[4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 156138597
N-[3,5-difluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 156138619

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[6-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-[6-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 118203945) is N-[3-fluoro-4-[6-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[6-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[6-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is COc1ccc(-c2cc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)c3ccnn3c2)cn1.
What is the InChIKey of N-[3-fluoro-4-[6-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is JMSGJVRGJWJAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21F2N5O4/c1-41-29-11-4-19(17-34-29)20-15-28(26-12-13-35-38(26)18-20)42-27-10-7-22(16-25(27)33)36-30(39)24-3-2-14-37(31(24)40)23-8-5-21(32)6-9-23/h2-18H,1H3,(H,36,39).
What are the key properties of N-[3-fluoro-4-[6-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
N-[3-fluoro-4-[6-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 565.54 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[6-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 118203945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).