2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide

C25H23FN4O — CID 165403140

IUPAC2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(C2CC2)cc1)c1cc2cnn(-c3ccc(F)cc3)c2cn1
InChIInChI=1S/C25H23FN4O/c1-16(29-25(31)12-17-2-4-18(5-3-17)19-6-7-19)23-13-20-14-28-30(24(20)15-27-23)22-10-8-21(26)9-11-22/h2-5,8-11,13-16,19H,6-7,12H2,1H3,(H,29,31)/t16-/m1/s1
InChIKeyDVSXRFPWAGUWQL-MRXNPFEDSA-N
MW414.48 g/mol
LogP4.86
Rot. Bonds6

About 2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide

2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide (PubChem CID 165403140) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide
PubChem CID165403140
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(C2CC2)cc1)c1cc2cnn(-c3ccc(F)cc3)c2cn1
InChIInChI=1S/C25H23FN4O/c1-16(29-25(31)12-17-2-4-18(5-3-17)19-6-7-19)23-13-20-14-28-30(24(20)15-27-23)22-10-8-21(26)9-11-22/h2-5,8-11,13-16,19H,6-7,12H2,1H3,(H,29,31)/t16-/m1/s1
InChIKeyDVSXRFPWAGUWQL-MRXNPFEDSA-N
XLogP4.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide
CID 165403185
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)acetamide
CID 147153289
2-[4-(3-cyclopropylindazol-1-yl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 42610137
N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]acetamide
CID 165403166
1-[(3,4-dichlorophenyl)methyl]-3-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 121432318
2-[3-chloro-4-(1,1-difluoroethyl)phenyl]-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide
CID 165403190
4,4,4-trifluoro-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-methylbutanamide
CID 46842969
2-[4-(3-fluoropyrrolidin-1-yl)phenyl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide
CID 24765015
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]acetamide
CID 153070021
2-[[(2S,3R)-3-[1-(4-fluorophenyl)indazol-5-yl]oxybutan-2-yl]amino]-2-oxoacetic acid
CID 159521542
N-[1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2,2-trifluoroacetamide
CID 74388636

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide?
The IUPAC name of 2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide (CID 165403140) is 2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide is C[C@@H](NC(=O)Cc1ccc(C2CC2)cc1)c1cc2cnn(-c3ccc(F)cc3)c2cn1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide?
The InChIKey is DVSXRFPWAGUWQL-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H23FN4O/c1-16(29-25(31)12-17-2-4-18(5-3-17)19-6-7-19)23-13-20-14-28-30(24(20)15-27-23)22-10-8-21(26)9-11-22/h2-5,8-11,13-16,19H,6-7,12H2,1H3,(H,29,31)/t16-/m1/s1.
What are the key properties of 2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide?
2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide has a molecular weight of 414.48 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-N-[(1R)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide is sourced from PubChem (CID 165403140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).