2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide

C24H26N6O — CID 19487356

IUPAC2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide
SMILESCc1cc(C)n(Cc2cccc(NC(=O)Cn3nc(C)c4c(C5CC5)ccnc43)c2)n1
InChIInChI=1S/C24H26N6O/c1-15-11-16(2)29(27-15)13-18-5-4-6-20(12-18)26-22(31)14-30-24-23(17(3)28-30)21(9-10-25-24)19-7-8-19/h4-6,9-12,19H,7-8,13-14H2,1-3H3,(H,26,31)
InChIKeyPHAZYCYEDPUTQO-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.12
Rot. Bonds6

About 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide

2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide (PubChem CID 19487356) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide
PubChem CID19487356
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide
SMILESCc1cc(C)n(Cc2cccc(NC(=O)Cn3nc(C)c4c(C5CC5)ccnc43)c2)n1
InChIInChI=1S/C24H26N6O/c1-15-11-16(2)29(27-15)13-18-5-4-6-20(12-18)26-22(31)14-30-24-23(17(3)28-30)21(9-10-25-24)19-7-8-19/h4-6,9-12,19H,7-8,13-14H2,1-3H3,(H,26,31)
InChIKeyPHAZYCYEDPUTQO-UHFFFAOYSA-N
XLogP4.12
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide
CID 19505798
2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-(4-methylphenyl)acetamide
CID 19487334
2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19487441
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19487445
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide
CID 19525235
2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 19487211
N-[4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19487473
N-(3-chloro-4-methoxyphenyl)-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19487232
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519175
2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-(2,5-difluorophenyl)acetamide
CID 19487256
2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19487278
N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-ethylbutanediamide
CID 146087761

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide (CID 19487356) is 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide is Cc1cc(C)n(Cc2cccc(NC(=O)Cn3nc(C)c4c(C5CC5)ccnc43)c2)n1.
What is the InChIKey of 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide?
The InChIKey is PHAZYCYEDPUTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-15-11-16(2)29(27-15)13-18-5-4-6-20(12-18)26-22(31)14-30-24-23(17(3)28-30)21(9-10-25-24)19-7-8-19/h4-6,9-12,19H,7-8,13-14H2,1-3H3,(H,26,31).
What are the key properties of 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide?
2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide has a molecular weight of 414.51 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 19487356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).