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

C23H17ClF2N4O2 — CID 25119291

IUPAC4-chloro-N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide
SMILESCn1c(=O)c(-c2cc(C(=O)NC3CC3)ccc2Cl)cc2cnn(-c3c(F)cccc3F)c21
InChIInChI=1S/C23H17ClF2N4O2/c1-29-22-13(11-27-30(22)20-18(25)3-2-4-19(20)26)10-16(23(29)32)15-9-12(5-8-17(15)24)21(31)28-14-6-7-14/h2-5,8-11,14H,6-7H2,1H3,(H,28,31)
InChIKeySBVVPLRDGQGTMO-UHFFFAOYSA-N
MW454.86 g/mol
LogP4.22
Rot. Bonds4

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

4-chloro-N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide (PubChem CID 25119291) has the molecular formula C23H17ClF2N4O2 and a molecular weight of 454.86 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide
PubChem CID25119291
Molecular FormulaC23H17ClF2N4O2
Molecular Weight454.86 g/mol
Exact Mass454.10
IUPAC Name4-chloro-N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide
SMILESCn1c(=O)c(-c2cc(C(=O)NC3CC3)ccc2Cl)cc2cnn(-c3c(F)cccc3F)c21
InChIInChI=1S/C23H17ClF2N4O2/c1-29-22-13(11-27-30(22)20-18(25)3-2-4-19(20)26)10-16(23(29)32)15-9-12(5-8-17(15)24)21(31)28-14-6-7-14/h2-5,8-11,14H,6-7H2,1H3,(H,28,31)
InChIKeySBVVPLRDGQGTMO-UHFFFAOYSA-N
XLogP4.22
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.86
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide (CID 25119291) is 4-chloro-N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide is Cn1c(=O)c(-c2cc(C(=O)NC3CC3)ccc2Cl)cc2cnn(-c3c(F)cccc3F)c21.
What is the InChIKey of 4-chloro-N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide?
The InChIKey is SBVVPLRDGQGTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF2N4O2/c1-29-22-13(11-27-30(22)20-18(25)3-2-4-19(20)26)10-16(23(29)32)15-9-12(5-8-17(15)24)21(31)28-14-6-7-14/h2-5,8-11,14H,6-7H2,1H3,(H,28,31).
What are the key properties of 4-chloro-N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide?
4-chloro-N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide has a molecular weight of 454.86 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 25119291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).