4-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C19H18FN5 — CID 56705580

IUPAC4-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFc1ccc(Cn2ncc3c2CN(c2ncnc4c2CCC4)C3)cc1
InChIInChI=1S/C19H18FN5/c20-15-6-4-13(5-7-15)9-25-18-11-24(10-14(18)8-23-25)19-16-2-1-3-17(16)21-12-22-19/h4-8,12H,1-3,9-11H2
InChIKeyAYGASRDHSMYZOS-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.87
Rot. Bonds3

About 4-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 56705580) has the molecular formula C19H18FN5 and a molecular weight of 335.39 g/mol. Its IUPAC name is 4-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID56705580
Molecular FormulaC19H18FN5
Molecular Weight335.39 g/mol
Exact Mass335.15
IUPAC Name4-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFc1ccc(Cn2ncc3c2CN(c2ncnc4c2CCC4)C3)cc1
InChIInChI=1S/C19H18FN5/c20-15-6-4-13(5-7-15)9-25-18-11-24(10-14(18)8-23-25)19-16-2-1-3-17(16)21-12-22-19/h4-8,12H,1-3,9-11H2
InChIKeyAYGASRDHSMYZOS-UHFFFAOYSA-N
XLogP2.87
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-chloropyrimidin-2-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 56706594
5-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 56703339
2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]quinoline-4-carboxylic acid
CID 56745510
N-[3-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl]phenyl]acetamide
CID 56738858
[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-propan-2-yloxyphenyl)methanone
CID 56759466
1-[(4-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-4-one
CID 65356803
(2S)-1-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-2-phenylbutan-1-one
CID 95198038
4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride
CID 154583498
4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 171701475
4-(4-chloropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 63388917
(3-fluoro-2-methoxyphenyl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
CID 56746814
4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
CID 3706864

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 56705580) is 4-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Fc1ccc(Cn2ncc3c2CN(c2ncnc4c2CCC4)C3)cc1.
What is the InChIKey of 4-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is AYGASRDHSMYZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5/c20-15-6-4-13(5-7-15)9-25-18-11-24(10-14(18)8-23-25)19-16-2-1-3-17(16)21-12-22-19/h4-8,12H,1-3,9-11H2.
What are the key properties of 4-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 335.39 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 56705580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).