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

C23H17ClF2N4O3 — CID 45273565

IUPAC4-chloro-N-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxybenzamide
SMILESCn1c(=O)cc(Oc2cc(C(=O)NC3CC3)ccc2Cl)c2cnn(-c3cc(F)ccc3F)c21
InChIInChI=1S/C23H17ClF2N4O3/c1-29-21(31)10-19(15-11-27-30(23(15)29)18-9-13(25)3-7-17(18)26)33-20-8-12(2-6-16(20)24)22(32)28-14-4-5-14/h2-3,6-11,14H,4-5H2,1H3,(H,28,32)
InChIKeyBLNGFYMVTVVSOK-UHFFFAOYSA-N
MW470.86 g/mol
LogP4.34
Rot. Bonds5

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

4-chloro-N-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxybenzamide (PubChem CID 45273565) has the molecular formula C23H17ClF2N4O3 and a molecular weight of 470.86 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxybenzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxybenzamide
PubChem CID45273565
Molecular FormulaC23H17ClF2N4O3
Molecular Weight470.86 g/mol
Exact Mass470.10
IUPAC Name4-chloro-N-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxybenzamide
SMILESCn1c(=O)cc(Oc2cc(C(=O)NC3CC3)ccc2Cl)c2cnn(-c3cc(F)ccc3F)c21
InChIInChI=1S/C23H17ClF2N4O3/c1-29-21(31)10-19(15-11-27-30(23(15)29)18-9-13(25)3-7-17(18)26)33-20-8-12(2-6-16(20)24)22(32)28-14-4-5-14/h2-3,6-11,14H,4-5H2,1H3,(H,28,32)
InChIKeyBLNGFYMVTVVSOK-UHFFFAOYSA-N
XLogP4.34
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.86
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxybenzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxybenzamide (CID 45273565) is 4-chloro-N-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxybenzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxybenzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxybenzamide is Cn1c(=O)cc(Oc2cc(C(=O)NC3CC3)ccc2Cl)c2cnn(-c3cc(F)ccc3F)c21.
What is the InChIKey of 4-chloro-N-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxybenzamide?
The InChIKey is BLNGFYMVTVVSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF2N4O3/c1-29-21(31)10-19(15-11-27-30(23(15)29)18-9-13(25)3-7-17(18)26)33-20-8-12(2-6-16(20)24)22(32)28-14-4-5-14/h2-3,6-11,14H,4-5H2,1H3,(H,28,32).
What are the key properties of 4-chloro-N-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxybenzamide?
4-chloro-N-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxybenzamide has a molecular weight of 470.86 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxybenzamide is sourced from PubChem (CID 45273565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).