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

C24H20F2N4O2 — CID 25119294

IUPACN-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cc2cnn(-c3cc(F)ccc3F)c2n(C)c1=O
InChIInChI=1S/C24H20F2N4O2/c1-13-3-4-14(22(31)28-17-6-7-17)9-18(13)19-10-15-12-27-30(23(15)29(2)24(19)32)21-11-16(25)5-8-20(21)26/h3-5,8-12,17H,6-7H2,1-2H3,(H,28,31)
InChIKeyDZWDCMBTFCPAEB-UHFFFAOYSA-N
MW434.45 g/mol
LogP3.87
Rot. Bonds4

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

N-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide (PubChem CID 25119294) has the molecular formula C24H20F2N4O2 and a molecular weight of 434.45 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide
PubChem CID25119294
Molecular FormulaC24H20F2N4O2
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC NameN-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cc2cnn(-c3cc(F)ccc3F)c2n(C)c1=O
InChIInChI=1S/C24H20F2N4O2/c1-13-3-4-14(22(31)28-17-6-7-17)9-18(13)19-10-15-12-27-30(23(15)29(2)24(19)32)21-11-16(25)5-8-20(21)26/h3-5,8-12,17H,6-7H2,1-2H3,(H,28,31)
InChIKeyDZWDCMBTFCPAEB-UHFFFAOYSA-N
XLogP3.87
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.87
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-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide (CID 25119294) is N-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cc2cnn(-c3cc(F)ccc3F)c2n(C)c1=O.
What is the InChIKey of N-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide?
The InChIKey is DZWDCMBTFCPAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O2/c1-13-3-4-14(22(31)28-17-6-7-17)9-18(13)19-10-15-12-27-30(23(15)29(2)24(19)32)21-11-16(25)5-8-20(21)26/h3-5,8-12,17H,6-7H2,1-2H3,(H,28,31).
What are the key properties of N-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide?
N-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide has a molecular weight of 434.45 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide is sourced from PubChem (CID 25119294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).