N-(4-fluorophenyl)-2-[methyl-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide

C22H20FN7O — CID 157029518

IUPACN-(4-fluorophenyl)-2-[methyl-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)c1nc(-c2cc3cn[nH]c3cn2)nc2c1CCC2
InChIInChI=1S/C22H20FN7O/c1-30(12-20(31)26-15-7-5-14(23)6-8-15)22-16-3-2-4-17(16)27-21(28-22)18-9-13-10-25-29-19(13)11-24-18/h5-11H,2-4,12H2,1H3,(H,25,29)(H,26,31)
InChIKeyKWISCFMRXCLEDC-UHFFFAOYSA-N
MW417.45 g/mol
LogP3.12
Rot. Bonds5

About N-(4-fluorophenyl)-2-[methyl-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide

N-(4-fluorophenyl)-2-[methyl-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide (PubChem CID 157029518) has the molecular formula C22H20FN7O and a molecular weight of 417.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[methyl-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[methyl-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
PubChem CID157029518
Molecular FormulaC22H20FN7O
Molecular Weight417.45 g/mol
Exact Mass417.17
IUPAC NameN-(4-fluorophenyl)-2-[methyl-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)c1nc(-c2cc3cn[nH]c3cn2)nc2c1CCC2
InChIInChI=1S/C22H20FN7O/c1-30(12-20(31)26-15-7-5-14(23)6-8-15)22-16-3-2-4-17(16)27-21(28-22)18-9-13-10-25-29-19(13)11-24-18/h5-11H,2-4,12H2,1H3,(H,25,29)(H,26,31)
InChIKeyKWISCFMRXCLEDC-UHFFFAOYSA-N
XLogP3.12
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-2-[methyl-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide;formic acid
CID 172815328
2-[[2-(4-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methoxy-3-pyridinyl)acetamide
CID 157030372
N-(6-fluoro-3-pyridinyl)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
CID 170208164
N-(6-fluoro-3-pyridinyl)-2-[methyl-[2-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
CID 157029408
2-[[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-[(6-methyl-3-pyridinyl)amino]ethanol
CID 166817300
N-tert-butyl-2-[[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
CID 157029369
2-[[2-(4-chloro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 157029926
N-tert-butyl-2-[methyl-[2-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
CID 157030003
2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-methylacetamide
CID 166823569
ethyl 2-[methyl-[2-(2,6-naphthyridin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate
CID 157029613
N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
CID 157029969
N-tert-butyl-2-[methyl-[2-[4-[[(2R)-oxiran-2-yl]methoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
CID 157029382

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[methyl-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[methyl-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide (CID 157029518) is N-(4-fluorophenyl)-2-[methyl-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[methyl-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[methyl-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide is CN(CC(=O)Nc1ccc(F)cc1)c1nc(-c2cc3cn[nH]c3cn2)nc2c1CCC2.
What is the InChIKey of N-(4-fluorophenyl)-2-[methyl-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?
The InChIKey is KWISCFMRXCLEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O/c1-30(12-20(31)26-15-7-5-14(23)6-8-15)22-16-3-2-4-17(16)27-21(28-22)18-9-13-10-25-29-19(13)11-24-18/h5-11H,2-4,12H2,1H3,(H,25,29)(H,26,31).
What are the key properties of N-(4-fluorophenyl)-2-[methyl-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?
N-(4-fluorophenyl)-2-[methyl-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide has a molecular weight of 417.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[methyl-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 157029518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).