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

C29H19F2N5O4 — CID 118203926

IUPACN-[3-fluoro-4-[6-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(Oc3cc(-c4ncco4)cn4nccc34)c(F)c2)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C29H19F2N5O4/c1-17-2-8-22(29(38)36(17)21-6-3-19(30)4-7-21)27(37)34-20-5-9-25(23(31)15-20)40-26-14-18(28-32-12-13-39-28)16-35-24(26)10-11-33-35/h2-16H,1H3,(H,34,37)
InChIKeyDZRQDPVVCRUHQQ-UHFFFAOYSA-N
MW539.50 g/mol
LogP5.77
Rot. Bonds6

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

N-[3-fluoro-4-[6-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide (PubChem CID 118203926) has the molecular formula C29H19F2N5O4 and a molecular weight of 539.50 g/mol. Its IUPAC name is N-[3-fluoro-4-[6-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[6-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
PubChem CID118203926
Molecular FormulaC29H19F2N5O4
Molecular Weight539.50 g/mol
Exact Mass539.14
IUPAC NameN-[3-fluoro-4-[6-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(Oc3cc(-c4ncco4)cn4nccc34)c(F)c2)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C29H19F2N5O4/c1-17-2-8-22(29(38)36(17)21-6-3-19(30)4-7-21)27(37)34-20-5-9-25(23(31)15-20)40-26-14-18(28-32-12-13-39-28)16-35-24(26)10-11-33-35/h2-16H,1H3,(H,34,37)
InChIKeyDZRQDPVVCRUHQQ-UHFFFAOYSA-N
XLogP5.77
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.50
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[6-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-[6-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide (CID 118203926) is N-[3-fluoro-4-[6-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[6-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[6-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(Oc3cc(-c4ncco4)cn4nccc34)c(F)c2)c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of N-[3-fluoro-4-[6-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is DZRQDPVVCRUHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19F2N5O4/c1-17-2-8-22(29(38)36(17)21-6-3-19(30)4-7-21)27(37)34-20-5-9-25(23(31)15-20)40-26-14-18(28-32-12-13-39-28)16-35-24(26)10-11-33-35/h2-16H,1H3,(H,34,37).
What are the key properties of N-[3-fluoro-4-[6-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide?
N-[3-fluoro-4-[6-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 539.50 g/mol, XLogP of 5.77, 6 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-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 118203926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).