[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-[5-(4-fluorophenyl)-1-methylpyrrol-2-yl]methanone

C22H24FN5O — CID 167840712

IUPAC[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-[5-(4-fluorophenyl)-1-methylpyrrol-2-yl]methanone
SMILESCn1c(C(=O)N2CCC(n3ncc4c3CNC4)CC2)ccc1-c1ccc(F)cc1
InChIInChI=1S/C22H24FN5O/c1-26-19(15-2-4-17(23)5-3-15)6-7-20(26)22(29)27-10-8-18(9-11-27)28-21-14-24-12-16(21)13-25-28/h2-7,13,18,24H,8-12,14H2,1H3
InChIKeyPGIVGYGAGCELMH-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.11
Rot. Bonds3

About [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-[5-(4-fluorophenyl)-1-methylpyrrol-2-yl]methanone

[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-[5-(4-fluorophenyl)-1-methylpyrrol-2-yl]methanone (PubChem CID 167840712) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-[5-(4-fluorophenyl)-1-methylpyrrol-2-yl]methanone.

Molecular Properties

Compound Name[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-[5-(4-fluorophenyl)-1-methylpyrrol-2-yl]methanone
PubChem CID167840712
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-[5-(4-fluorophenyl)-1-methylpyrrol-2-yl]methanone
SMILESCn1c(C(=O)N2CCC(n3ncc4c3CNC4)CC2)ccc1-c1ccc(F)cc1
InChIInChI=1S/C22H24FN5O/c1-26-19(15-2-4-17(23)5-3-15)6-7-20(26)22(29)27-10-8-18(9-11-27)28-21-14-24-12-16(21)13-25-28/h2-7,13,18,24H,8-12,14H2,1H3
InChIKeyPGIVGYGAGCELMH-UHFFFAOYSA-N
XLogP3.11
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-[5-(4-fluorophenyl)-1-methylpyrrol-2-yl]methanone with MolForge

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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]-[5-(4-fluorophenyl)-1-methylpyrrol-2-yl]methanone?
The IUPAC name of [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) is [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-[5-(4-fluorophenyl)-1-methylpyrrol-2-yl]methanone.
What is the SMILES notation for [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-[5-(4-fluorophenyl)-1-methylpyrrol-2-yl]methanone?
The canonical SMILES for [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-[5-(4-fluorophenyl)-1-methylpyrrol-2-yl]methanone is Cn1c(C(=O)N2CCC(n3ncc4c3CNC4)CC2)ccc1-c1ccc(F)cc1.
What is the InChIKey of [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-[5-(4-fluorophenyl)-1-methylpyrrol-2-yl]methanone?
The InChIKey is PGIVGYGAGCELMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-26-19(15-2-4-17(23)5-3-15)6-7-20(26)22(29)27-10-8-18(9-11-27)28-21-14-24-12-16(21)13-25-28/h2-7,13,18,24H,8-12,14H2,1H3.
What are the key properties of [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-[5-(4-fluorophenyl)-1-methylpyrrol-2-yl]methanone?
[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-[5-(4-fluorophenyl)-1-methylpyrrol-2-yl]methanone has a molecular weight of 393.47 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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]-[5-(4-fluorophenyl)-1-methylpyrrol-2-yl]methanone is sourced from PubChem (CID 167840712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).