4-[1-[(1R,3R)-3-aminocyclopentyl]-4-[1-(cyclopropylmethyl)pyrazol-4-yl]oxypyrazolo[5,4-d]pyrimidin-3-yl]-2-fluorobenzonitrile

C24H23FN8O — CID 175943099

IUPAC4-[1-[(1R,3R)-3-aminocyclopentyl]-4-[1-(cyclopropylmethyl)pyrazol-4-yl]oxypyrazolo[5,4-d]pyrimidin-3-yl]-2-fluorobenzonitrile
SMILESN#Cc1ccc(-c2nn([C@@H]3CC[C@@H](N)C3)c3ncnc(Oc4cnn(CC5CC5)c4)c23)cc1F
InChIInChI=1S/C24H23FN8O/c25-20-7-15(3-4-16(20)9-26)22-21-23(33(31-22)18-6-5-17(27)8-18)28-13-29-24(21)34-19-10-30-32(12-19)11-14-1-2-14/h3-4,7,10,12-14,17-18H,1-2,5-6,8,11,27H2/t17-,18-/m1/s1
InChIKeyGFNZHRBGYLFGJC-QZTJIDSGSA-N
MW458.50 g/mol
LogP3.96
Rot. Bonds6

About 4-[1-[(1R,3R)-3-aminocyclopentyl]-4-[1-(cyclopropylmethyl)pyrazol-4-yl]oxypyrazolo[5,4-d]pyrimidin-3-yl]-2-fluorobenzonitrile

4-[1-[(1R,3R)-3-aminocyclopentyl]-4-[1-(cyclopropylmethyl)pyrazol-4-yl]oxypyrazolo[5,4-d]pyrimidin-3-yl]-2-fluorobenzonitrile (PubChem CID 175943099) has the molecular formula C24H23FN8O and a molecular weight of 458.50 g/mol. Its IUPAC name is 4-[1-[(1R,3R)-3-aminocyclopentyl]-4-[1-(cyclopropylmethyl)pyrazol-4-yl]oxypyrazolo[5,4-d]pyrimidin-3-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[1-[(1R,3R)-3-aminocyclopentyl]-4-[1-(cyclopropylmethyl)pyrazol-4-yl]oxypyrazolo[5,4-d]pyrimidin-3-yl]-2-fluorobenzonitrile
PubChem CID175943099
Molecular FormulaC24H23FN8O
Molecular Weight458.50 g/mol
Exact Mass458.20
IUPAC Name4-[1-[(1R,3R)-3-aminocyclopentyl]-4-[1-(cyclopropylmethyl)pyrazol-4-yl]oxypyrazolo[5,4-d]pyrimidin-3-yl]-2-fluorobenzonitrile
SMILESN#Cc1ccc(-c2nn([C@@H]3CC[C@@H](N)C3)c3ncnc(Oc4cnn(CC5CC5)c4)c23)cc1F
InChIInChI=1S/C24H23FN8O/c25-20-7-15(3-4-16(20)9-26)22-21-23(33(31-22)18-6-5-17(27)8-18)28-13-29-24(21)34-19-10-30-32(12-19)11-14-1-2-14/h3-4,7,10,12-14,17-18H,1-2,5-6,8,11,27H2/t17-,18-/m1/s1
InChIKeyGFNZHRBGYLFGJC-QZTJIDSGSA-N
XLogP3.96
TPSA120.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[1-[(1R,3R)-3-aminocyclopentyl]-4-[1-(cyclopropylmethyl)pyrazol-4-yl]oxypyrazolo[5,4-d]pyrimidin-3-yl]-2-fluorobenzonitrile with MolForge

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Related Compounds

2-fluoro-4-[4-[1-(oxetan-3-ylmethyl)pyrazol-4-yl]oxy-7-(pyrrolidin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
CID 175507398
2-[4-[5-(4-cyano-3-fluorophenyl)-7-(pyrrolidin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxypyrazol-1-yl]-N,N-dimethylacetamide
CID 175943104
3-(4-amino-3-fluorophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162386267
[4-[3-(4-cyano-3-fluorophenyl)-5-ethoxy-4-(1-methylindazol-5-yl)pyrazol-1-yl]cyclohexyl] carbamate
CID 175478886
2-[1-(cyclopropylmethyl)pyrazol-4-yl]-4-(trifluoromethyl)benzonitrile
CID 172915485
4-[8-[(3R)-3-aminopiperidin-1-yl]-3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorobenzonitrile
CID 170440388
4-[5-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carbonyl]-2-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]-2-fluorobenzonitrile
CID 135339712
4-[5-(3-amino-8-azabicyclo[3.2.1]octane-8-carbonyl)-2-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]-2-fluorobenzonitrile
CID 135339713
3-[3-fluoro-4-[3-fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 72694433
4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]-2-fluorobenzonitrile
CID 118920627
4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile
CID 118917219
3-(4-amino-3-fluorophenyl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 162386398

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1R,3R)-3-aminocyclopentyl]-4-[1-(cyclopropylmethyl)pyrazol-4-yl]oxypyrazolo[5,4-d]pyrimidin-3-yl]-2-fluorobenzonitrile?
The IUPAC name of 4-[1-[(1R,3R)-3-aminocyclopentyl]-4-[1-(cyclopropylmethyl)pyrazol-4-yl]oxypyrazolo[5,4-d]pyrimidin-3-yl]-2-fluorobenzonitrile (CID 175943099) is 4-[1-[(1R,3R)-3-aminocyclopentyl]-4-[1-(cyclopropylmethyl)pyrazol-4-yl]oxypyrazolo[5,4-d]pyrimidin-3-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[1-[(1R,3R)-3-aminocyclopentyl]-4-[1-(cyclopropylmethyl)pyrazol-4-yl]oxypyrazolo[5,4-d]pyrimidin-3-yl]-2-fluorobenzonitrile?
The canonical SMILES for 4-[1-[(1R,3R)-3-aminocyclopentyl]-4-[1-(cyclopropylmethyl)pyrazol-4-yl]oxypyrazolo[5,4-d]pyrimidin-3-yl]-2-fluorobenzonitrile is N#Cc1ccc(-c2nn([C@@H]3CC[C@@H](N)C3)c3ncnc(Oc4cnn(CC5CC5)c4)c23)cc1F.
What is the InChIKey of 4-[1-[(1R,3R)-3-aminocyclopentyl]-4-[1-(cyclopropylmethyl)pyrazol-4-yl]oxypyrazolo[5,4-d]pyrimidin-3-yl]-2-fluorobenzonitrile?
The InChIKey is GFNZHRBGYLFGJC-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H23FN8O/c25-20-7-15(3-4-16(20)9-26)22-21-23(33(31-22)18-6-5-17(27)8-18)28-13-29-24(21)34-19-10-30-32(12-19)11-14-1-2-14/h3-4,7,10,12-14,17-18H,1-2,5-6,8,11,27H2/t17-,18-/m1/s1.
What are the key properties of 4-[1-[(1R,3R)-3-aminocyclopentyl]-4-[1-(cyclopropylmethyl)pyrazol-4-yl]oxypyrazolo[5,4-d]pyrimidin-3-yl]-2-fluorobenzonitrile?
4-[1-[(1R,3R)-3-aminocyclopentyl]-4-[1-(cyclopropylmethyl)pyrazol-4-yl]oxypyrazolo[5,4-d]pyrimidin-3-yl]-2-fluorobenzonitrile has a molecular weight of 458.50 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1R,3R)-3-aminocyclopentyl]-4-[1-(cyclopropylmethyl)pyrazol-4-yl]oxypyrazolo[5,4-d]pyrimidin-3-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 175943099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).