2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide

C22H21FN6O — CID 19487278

IUPAC2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESCc1nn(CC(=O)Nc2ccn(Cc3ccc(F)cc3)n2)c2nccc(C3CC3)c12
InChIInChI=1S/C22H21FN6O/c1-14-21-18(16-4-5-16)8-10-24-22(21)29(26-14)13-20(30)25-19-9-11-28(27-19)12-15-2-6-17(23)7-3-15/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,25,27,30)
InChIKeySNIQXQNAOQFCCT-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.64
Rot. Bonds6

About 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide

2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 19487278) has the molecular formula C22H21FN6O and a molecular weight of 404.45 g/mol. Its IUPAC name is 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID19487278
Molecular FormulaC22H21FN6O
Molecular Weight404.45 g/mol
Exact Mass404.18
IUPAC Name2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESCc1nn(CC(=O)Nc2ccn(Cc3ccc(F)cc3)n2)c2nccc(C3CC3)c12
InChIInChI=1S/C22H21FN6O/c1-14-21-18(16-4-5-16)8-10-24-22(21)29(26-14)13-20(30)25-19-9-11-28(27-19)12-15-2-6-17(23)7-3-15/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,25,27,30)
InChIKeySNIQXQNAOQFCCT-UHFFFAOYSA-N
XLogP3.64
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(4-methyl-2-pyridinyl)acetamide
CID 19487211
2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-(4-methylphenyl)acetamide
CID 19487334
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19487515
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-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19505664
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-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19487445
N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482110
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19487366
2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19503553
2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 19485119

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide (CID 19487278) is 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide is Cc1nn(CC(=O)Nc2ccn(Cc3ccc(F)cc3)n2)c2nccc(C3CC3)c12.
What is the InChIKey of 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is SNIQXQNAOQFCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O/c1-14-21-18(16-4-5-16)8-10-24-22(21)29(26-14)13-20(30)25-19-9-11-28(27-19)12-15-2-6-17(23)7-3-15/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,25,27,30).
What are the key properties of 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 404.45 g/mol, XLogP of 3.64, 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-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 19487278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).