N-cyclopropyl-3-[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide

C25H23FN4O3 — CID 45268376

IUPACN-cyclopropyl-3-[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide
SMILESCCn1c(=O)cc(Oc2cc(C(=O)NC3CC3)ccc2C)c2cnn(-c3ccc(F)cc3)c21
InChIInChI=1S/C25H23FN4O3/c1-3-29-23(31)13-22(20-14-27-30(25(20)29)19-10-6-17(26)7-11-19)33-21-12-16(5-4-15(21)2)24(32)28-18-8-9-18/h4-7,10-14,18H,3,8-9H2,1-2H3,(H,28,32)
InChIKeyQOPXETBXXJMWAF-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.34
Rot. Bonds6

About N-cyclopropyl-3-[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide

N-cyclopropyl-3-[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide (PubChem CID 45268376) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is N-cyclopropyl-3-[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide
PubChem CID45268376
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC NameN-cyclopropyl-3-[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide
SMILESCCn1c(=O)cc(Oc2cc(C(=O)NC3CC3)ccc2C)c2cnn(-c3ccc(F)cc3)c21
InChIInChI=1S/C25H23FN4O3/c1-3-29-23(31)13-22(20-14-27-30(25(20)29)19-10-6-17(26)7-11-19)33-21-12-16(5-4-15(21)2)24(32)28-18-8-9-18/h4-7,10-14,18H,3,8-9H2,1-2H3,(H,28,32)
InChIKeyQOPXETBXXJMWAF-UHFFFAOYSA-N
XLogP4.34
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide (CID 45268376) is N-cyclopropyl-3-[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide is CCn1c(=O)cc(Oc2cc(C(=O)NC3CC3)ccc2C)c2cnn(-c3ccc(F)cc3)c21.
What is the InChIKey of N-cyclopropyl-3-[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide?
The InChIKey is QOPXETBXXJMWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3/c1-3-29-23(31)13-22(20-14-27-30(25(20)29)19-10-6-17(26)7-11-19)33-21-12-16(5-4-15(21)2)24(32)28-18-8-9-18/h4-7,10-14,18H,3,8-9H2,1-2H3,(H,28,32).
What are the key properties of N-cyclopropyl-3-[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide?
N-cyclopropyl-3-[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide has a molecular weight of 446.48 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide is sourced from PubChem (CID 45268376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).