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

C25H22F2N4O2 — CID 25119643

IUPAC3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide
SMILESCc1ccc(C(=O)NC2(C)CC2)cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O
InChIInChI=1S/C25H22F2N4O2/c1-14-7-8-15(22(32)29-25(2)9-10-25)11-17(14)18-12-16-13-28-31(23(16)30(3)24(18)33)21-19(26)5-4-6-20(21)27/h4-8,11-13H,9-10H2,1-3H3,(H,29,32)
InChIKeyBVVDNNRTLLGBLG-UHFFFAOYSA-N
MW448.47 g/mol
LogP4.26
Rot. Bonds4

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

3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide (PubChem CID 25119643) has the molecular formula C25H22F2N4O2 and a molecular weight of 448.47 g/mol. Its IUPAC name is 3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide.

Molecular Properties

Compound Name3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide
PubChem CID25119643
Molecular FormulaC25H22F2N4O2
Molecular Weight448.47 g/mol
Exact Mass448.17
IUPAC Name3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide
SMILESCc1ccc(C(=O)NC2(C)CC2)cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O
InChIInChI=1S/C25H22F2N4O2/c1-14-7-8-15(22(32)29-25(2)9-10-25)11-17(14)18-12-16-13-28-31(23(16)30(3)24(18)33)21-19(26)5-4-6-20(21)27/h4-8,11-13H,9-10H2,1-3H3,(H,29,32)
InChIKeyBVVDNNRTLLGBLG-UHFFFAOYSA-N
XLogP4.26
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide?
The IUPAC name of 3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide (CID 25119643) is 3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide.
What is the SMILES notation for 3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide?
The canonical SMILES for 3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide is Cc1ccc(C(=O)NC2(C)CC2)cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O.
What is the InChIKey of 3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide?
The InChIKey is BVVDNNRTLLGBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O2/c1-14-7-8-15(22(32)29-25(2)9-10-25)11-17(14)18-12-16-13-28-31(23(16)30(3)24(18)33)21-19(26)5-4-6-20(21)27/h4-8,11-13H,9-10H2,1-3H3,(H,29,32).
What are the key properties of 3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide?
3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide has a molecular weight of 448.47 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide is sourced from PubChem (CID 25119643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).