[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(4-fluoronaphthalen-1-yl)methanone

C21H21FN4O — CID 166298602

IUPAC[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(4-fluoronaphthalen-1-yl)methanone
SMILESO=C(c1ccc(F)c2ccccc12)N1CCC(n2ncc3c2CNC3)CC1
InChIInChI=1S/C21H21FN4O/c22-19-6-5-18(16-3-1-2-4-17(16)19)21(27)25-9-7-15(8-10-25)26-20-13-23-11-14(20)12-24-26/h1-6,12,15,23H,7-11,13H2
InChIKeyLFHVAOTVYYXCJW-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.26
Rot. Bonds2

About [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(4-fluoronaphthalen-1-yl)methanone

[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(4-fluoronaphthalen-1-yl)methanone (PubChem CID 166298602) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(4-fluoronaphthalen-1-yl)methanone.

Molecular Properties

Compound Name[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(4-fluoronaphthalen-1-yl)methanone
PubChem CID166298602
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(4-fluoronaphthalen-1-yl)methanone
SMILESO=C(c1ccc(F)c2ccccc12)N1CCC(n2ncc3c2CNC3)CC1
InChIInChI=1S/C21H21FN4O/c22-19-6-5-18(16-3-1-2-4-17(16)19)21(27)25-9-7-15(8-10-25)26-20-13-23-11-14(20)12-24-26/h1-6,12,15,23H,7-11,13H2
InChIKeyLFHVAOTVYYXCJW-UHFFFAOYSA-N
XLogP3.26
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 128883127
2,3-dihydro-1H-inden-4-yl-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]methanone
CID 128883392
[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone
CID 154841987
[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-[5-(4-fluorophenyl)-1-methylpyrrol-2-yl]methanone
CID 167840712
3,4-dihydro-1H-isochromen-1-yl-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]methanone
CID 128883561
[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 128883391
(4-methoxynaphthalen-1-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 119064875
[4-(azepan-1-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110667097
5-(4-fluoronaphthalene-1-carbonyl)-1,1-dioxo-3a,4,6,7-tetrahydro-[1,2,5]thiadiazolo[2,3-a]pyrazin-3-one
CID 171680208
2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide
CID 108556830
N-(5-chloro-2-pyridinyl)-1-[2-(4-fluorobenzoyl)benzoyl]piperidine-4-carboxamide
CID 55924923
1-(4-ethylnaphthalene-1-carbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 162196893

Frequently Asked Questions

What is the IUPAC name of [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(4-fluoronaphthalen-1-yl)methanone?
The IUPAC name of [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(4-fluoronaphthalen-1-yl)methanone (CID 166298602) is [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(4-fluoronaphthalen-1-yl)methanone.
What is the SMILES notation for [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(4-fluoronaphthalen-1-yl)methanone?
The canonical SMILES for [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(4-fluoronaphthalen-1-yl)methanone is O=C(c1ccc(F)c2ccccc12)N1CCC(n2ncc3c2CNC3)CC1.
What is the InChIKey of [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(4-fluoronaphthalen-1-yl)methanone?
The InChIKey is LFHVAOTVYYXCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c22-19-6-5-18(16-3-1-2-4-17(16)19)21(27)25-9-7-15(8-10-25)26-20-13-23-11-14(20)12-24-26/h1-6,12,15,23H,7-11,13H2.
What are the key properties of [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(4-fluoronaphthalen-1-yl)methanone?
[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(4-fluoronaphthalen-1-yl)methanone has a molecular weight of 364.42 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(4-fluoronaphthalen-1-yl)methanone is sourced from PubChem (CID 166298602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).