[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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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).