N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide

C25H22F2N4O2 — CID 25119991

IUPACN-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide
SMILESCCn1c(=O)c(-c2cc(C(=O)NC3CC3)ccc2C)cc2cnn(-c3ccc(F)cc3F)c21
InChIInChI=1S/C25H22F2N4O2/c1-3-30-24-16(13-28-31(24)22-9-6-17(26)12-21(22)27)11-20(25(30)33)19-10-15(5-4-14(19)2)23(32)29-18-7-8-18/h4-6,9-13,18H,3,7-8H2,1-2H3,(H,29,32)
InChIKeyONVFZPXWBQZKQL-UHFFFAOYSA-N
MW448.47 g/mol
LogP4.35
Rot. Bonds5

About N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide

N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide (PubChem CID 25119991) has the molecular formula C25H22F2N4O2 and a molecular weight of 448.47 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide
PubChem CID25119991
Molecular FormulaC25H22F2N4O2
Molecular Weight448.47 g/mol
Exact Mass448.17
IUPAC NameN-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide
SMILESCCn1c(=O)c(-c2cc(C(=O)NC3CC3)ccc2C)cc2cnn(-c3ccc(F)cc3F)c21
InChIInChI=1S/C25H22F2N4O2/c1-3-30-24-16(13-28-31(24)22-9-6-17(26)12-21(22)27)11-20(25(30)33)19-10-15(5-4-14(19)2)23(32)29-18-7-8-18/h4-6,9-13,18H,3,7-8H2,1-2H3,(H,29,32)
InChIKeyONVFZPXWBQZKQL-UHFFFAOYSA-N
XLogP4.35
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide (CID 25119991) is N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide is CCn1c(=O)c(-c2cc(C(=O)NC3CC3)ccc2C)cc2cnn(-c3ccc(F)cc3F)c21.
What is the InChIKey of N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide?
The InChIKey is ONVFZPXWBQZKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O2/c1-3-30-24-16(13-28-31(24)22-9-6-17(26)12-21(22)27)11-20(25(30)33)19-10-15(5-4-14(19)2)23(32)29-18-7-8-18/h4-6,9-13,18H,3,7-8H2,1-2H3,(H,29,32).
What are the key properties of N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide?
N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide has a molecular weight of 448.47 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide is sourced from PubChem (CID 25119991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).