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

C21H22N4O4S — CID 68737257

IUPACN-cyclopropyl-3-(1-cyclopropylsulfonyl-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cc2cnn(S(=O)(=O)C3CC3)c2n(C)c1=O
InChIInChI=1S/C21H22N4O4S/c1-12-3-4-13(19(26)23-15-5-6-15)9-17(12)18-10-14-11-22-25(20(14)24(2)21(18)27)30(28,29)16-7-8-16/h3-4,9-11,15-16H,5-8H2,1-2H3,(H,23,26)
InChIKeyOZFHDOLJCYQQJB-UHFFFAOYSA-N
MW426.50 g/mol
LogP1.94
Rot. Bonds5

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

N-cyclopropyl-3-(1-cyclopropylsulfonyl-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide (PubChem CID 68737257) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-cyclopropyl-3-(1-cyclopropylsulfonyl-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(1-cyclopropylsulfonyl-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide
PubChem CID68737257
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC NameN-cyclopropyl-3-(1-cyclopropylsulfonyl-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cc2cnn(S(=O)(=O)C3CC3)c2n(C)c1=O
InChIInChI=1S/C21H22N4O4S/c1-12-3-4-13(19(26)23-15-5-6-15)9-17(12)18-10-14-11-22-25(20(14)24(2)21(18)27)30(28,29)16-7-8-16/h3-4,9-11,15-16H,5-8H2,1-2H3,(H,23,26)
InChIKeyOZFHDOLJCYQQJB-UHFFFAOYSA-N
XLogP1.94
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-3-(1-cyclopropylsulfonyl-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide with MolForge

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Related Compounds

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CID 58919712
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(1-cyclopropylsulfonyl-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-(1-cyclopropylsulfonyl-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide (CID 68737257) is N-cyclopropyl-3-(1-cyclopropylsulfonyl-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-(1-cyclopropylsulfonyl-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-(1-cyclopropylsulfonyl-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cc2cnn(S(=O)(=O)C3CC3)c2n(C)c1=O.
What is the InChIKey of N-cyclopropyl-3-(1-cyclopropylsulfonyl-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide?
The InChIKey is OZFHDOLJCYQQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-12-3-4-13(19(26)23-15-5-6-15)9-17(12)18-10-14-11-22-25(20(14)24(2)21(18)27)30(28,29)16-7-8-16/h3-4,9-11,15-16H,5-8H2,1-2H3,(H,23,26).
What are the key properties of N-cyclopropyl-3-(1-cyclopropylsulfonyl-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide?
N-cyclopropyl-3-(1-cyclopropylsulfonyl-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide has a molecular weight of 426.50 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(1-cyclopropylsulfonyl-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide is sourced from PubChem (CID 68737257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).