N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide

C24H21FN4O — CID 58919704

IUPACN-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide
SMILESCc1cccc(-n2ncc3cc(-c4cc(C(=O)NC5CC5)cc(F)c4C)ncc32)c1
InChIInChI=1S/C24H21FN4O/c1-14-4-3-5-19(8-14)29-23-13-26-22(11-17(23)12-27-29)20-9-16(10-21(25)15(20)2)24(30)28-18-6-7-18/h3-5,8-13,18H,6-7H2,1-2H3,(H,28,30)
InChIKeyIRXOVBVMJTWNEL-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.74
Rot. Bonds4

About N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide

N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide (PubChem CID 58919704) has the molecular formula C24H21FN4O and a molecular weight of 400.46 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide
PubChem CID58919704
Molecular FormulaC24H21FN4O
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC NameN-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide
SMILESCc1cccc(-n2ncc3cc(-c4cc(C(=O)NC5CC5)cc(F)c4C)ncc32)c1
InChIInChI=1S/C24H21FN4O/c1-14-4-3-5-19(8-14)29-23-13-26-22(11-17(23)12-27-29)20-9-16(10-21(25)15(20)2)24(30)28-18-6-7-18/h3-5,8-13,18H,6-7H2,1-2H3,(H,28,30)
InChIKeyIRXOVBVMJTWNEL-UHFFFAOYSA-N
XLogP4.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide (CID 58919704) is N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide is Cc1cccc(-n2ncc3cc(-c4cc(C(=O)NC5CC5)cc(F)c4C)ncc32)c1.
What is the InChIKey of N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide?
The InChIKey is IRXOVBVMJTWNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O/c1-14-4-3-5-19(8-14)29-23-13-26-22(11-17(23)12-27-29)20-9-16(10-21(25)15(20)2)24(30)28-18-6-7-18/h3-5,8-13,18H,6-7H2,1-2H3,(H,28,30).
What are the key properties of N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide?
N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide has a molecular weight of 400.46 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide is sourced from PubChem (CID 58919704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).