3-[2-[3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one

C35H27F2N5O4 — CID 147524551

IUPAC3-[2-[3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one
SMILESO=C(Cc1ccc(Oc2cc(-c3ccc(N4CCOCC4)nc3)cn3nccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C35H27F2N5O4/c36-26-5-7-27(8-6-26)41-13-1-2-28(35(41)44)31(43)19-23-3-9-32(29(37)18-23)46-33-20-25(22-42-30(33)11-12-39-42)24-4-10-34(38-21-24)40-14-16-45-17-15-40/h1-13,18,20-22H,14-17,19H2
InChIKeyFLVAZYKCZQMEGH-UHFFFAOYSA-N
MW619.63 g/mol
LogP5.88
Rot. Bonds8

About 3-[2-[3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one

3-[2-[3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one (PubChem CID 147524551) has the molecular formula C35H27F2N5O4 and a molecular weight of 619.63 g/mol. Its IUPAC name is 3-[2-[3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name3-[2-[3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one
PubChem CID147524551
Molecular FormulaC35H27F2N5O4
Molecular Weight619.63 g/mol
Exact Mass619.20
IUPAC Name3-[2-[3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one
SMILESO=C(Cc1ccc(Oc2cc(-c3ccc(N4CCOCC4)nc3)cn3nccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C35H27F2N5O4/c36-26-5-7-27(8-6-26)41-13-1-2-28(35(41)44)31(43)19-23-3-9-32(29(37)18-23)46-33-20-25(22-42-30(33)11-12-39-42)24-4-10-34(38-21-24)40-14-16-45-17-15-40/h1-13,18,20-22H,14-17,19H2
InChIKeyFLVAZYKCZQMEGH-UHFFFAOYSA-N
XLogP5.88
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.63
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[2-[3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-4-(quinolin-2-ylmethoxy)-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)benzamide
CID 56596178
1-[(3R)-3-[4-amino-3-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 130203369
(E)-2-[(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carbonyl]-4-methyl-4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]pent-2-enenitrile
CID 145219661
(E)-2-[(3R)-3-[4-amino-3-[4-(2,6-difluorophenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carbonyl]-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile
CID 162678078
(E)-2-[(3R)-3-[4-amino-3-[4-(2,3-difluorophenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carbonyl]-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile
CID 162678079
US10266548, Example 25-3
CID 89487474
US10266548, Example 16-3
CID 89487493
US9914731, Ex. No. 25
CID 91810848
US9815840, Example 50
CID 117946952
US9914731, Ex. No. 81
CID 118197834
US9914731, Ex. No. 47
CID 118197841
US9914731, Ex. No. 26
CID 118203883

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one?
The IUPAC name of 3-[2-[3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one (CID 147524551) is 3-[2-[3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one.
What is the SMILES notation for 3-[2-[3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one?
The canonical SMILES for 3-[2-[3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one is O=C(Cc1ccc(Oc2cc(-c3ccc(N4CCOCC4)nc3)cn3nccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 3-[2-[3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one?
The InChIKey is FLVAZYKCZQMEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27F2N5O4/c36-26-5-7-27(8-6-26)41-13-1-2-28(35(41)44)31(43)19-23-3-9-32(29(37)18-23)46-33-20-25(22-42-30(33)11-12-39-42)24-4-10-34(38-21-24)40-14-16-45-17-15-40/h1-13,18,20-22H,14-17,19H2.
What are the key properties of 3-[2-[3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one?
3-[2-[3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one has a molecular weight of 619.63 g/mol, XLogP of 5.88, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one is sourced from PubChem (CID 147524551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).