(4-fluorophenyl) N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]carbamate

C24H17F2N5O3 — CID 118203835

IUPAC(4-fluorophenyl) N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]carbamate
SMILESCn1cnc(-c2cc(Oc3ccc(NC(=O)Oc4ccc(F)cc4)cc3F)c3ccnn3c2)c1
InChIInChI=1S/C24H17F2N5O3/c1-30-13-20(27-14-30)15-10-23(21-8-9-28-31(21)12-15)34-22-7-4-17(11-19(22)26)29-24(32)33-18-5-2-16(25)3-6-18/h2-14H,1H3,(H,29,32)
InChIKeyNUGVUGOMPMILKH-UHFFFAOYSA-N
MW461.43 g/mol
LogP5.42
Rot. Bonds5

About (4-fluorophenyl) N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]carbamate

(4-fluorophenyl) N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]carbamate (PubChem CID 118203835) has the molecular formula C24H17F2N5O3 and a molecular weight of 461.43 g/mol. Its IUPAC name is (4-fluorophenyl) N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]carbamate.

Molecular Properties

Compound Name(4-fluorophenyl) N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]carbamate
PubChem CID118203835
Molecular FormulaC24H17F2N5O3
Molecular Weight461.43 g/mol
Exact Mass461.13
IUPAC Name(4-fluorophenyl) N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]carbamate
SMILESCn1cnc(-c2cc(Oc3ccc(NC(=O)Oc4ccc(F)cc4)cc3F)c3ccnn3c2)c1
InChIInChI=1S/C24H17F2N5O3/c1-30-13-20(27-14-30)15-10-23(21-8-9-28-31(21)12-15)34-22-7-4-17(11-19(22)26)29-24(32)33-18-5-2-16(25)3-6-18/h2-14H,1H3,(H,29,32)
InChIKeyNUGVUGOMPMILKH-UHFFFAOYSA-N
XLogP5.42
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.43
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-fluorophenyl) N-[3-fluoro-4-[[2-(2-iminoethyl)-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxy]phenyl]carbamate
CID 123972789
2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyanilino]-N-phenylpyridine-3-carboxamide
CID 118197732
3-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one
CID 152834497
3-(4-fluorophenyl)-N-[3-methyl-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 118203929
5-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione
CID 149417288
1-[2-[[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-2-phenylethanone
CID 152814673
3-methyl-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxybenzamide
CID 122653037
(2E)-2-[[acetyl(ethyl)amino]methylidene]-N-[4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-phenylmethoxyphenyl]-3-oxobutanamide;1-fluoro-4-methylbenzene
CID 144877079
(7E)-1-ethyl-3-(4-fluorophenyl)-N-[4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-phenylmethoxyphenyl]-2,6-dioxo-4,5-dihydro-3H-azocine-7-carboxamide
CID 134423697
4-(4-fluorophenyl)-N-[5-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]-3,5-dioxo-2-propan-2-yl-1,2,4-triazine-6-carboxamide
CID 118203890
N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)indolizin-8-yl]oxyphenyl]pyrimidin-2-amine
CID 134423579
1-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyridin-4-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide
CID 118203931

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]carbamate?
The IUPAC name of (4-fluorophenyl) N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]carbamate (CID 118203835) is (4-fluorophenyl) N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]carbamate.
What is the SMILES notation for (4-fluorophenyl) N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]carbamate?
The canonical SMILES for (4-fluorophenyl) N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]carbamate is Cn1cnc(-c2cc(Oc3ccc(NC(=O)Oc4ccc(F)cc4)cc3F)c3ccnn3c2)c1.
What is the InChIKey of (4-fluorophenyl) N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]carbamate?
The InChIKey is NUGVUGOMPMILKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N5O3/c1-30-13-20(27-14-30)15-10-23(21-8-9-28-31(21)12-15)34-22-7-4-17(11-19(22)26)29-24(32)33-18-5-2-16(25)3-6-18/h2-14H,1H3,(H,29,32).
What are the key properties of (4-fluorophenyl) N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]carbamate?
(4-fluorophenyl) N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]carbamate has a molecular weight of 461.43 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]carbamate is sourced from PubChem (CID 118203835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).