2-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C21H24FN7 — CID 3229303

IUPAC2-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESFc1ccc(Cn2nnnc2C(c2ccccn2)N2CCN3CCCC3C2)cc1
InChIInChI=1S/C21H24FN7/c22-17-8-6-16(7-9-17)14-29-21(24-25-26-29)20(19-5-1-2-10-23-19)28-13-12-27-11-3-4-18(27)15-28/h1-2,5-10,18,20H,3-4,11-15H2
InChIKeyOTHCPXKPELBAAZ-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.12
Rot. Bonds5

About 2-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

2-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 3229303) has the molecular formula C21H24FN7 and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID3229303
Molecular FormulaC21H24FN7
Molecular Weight393.47 g/mol
Exact Mass393.21
IUPAC Name2-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESFc1ccc(Cn2nnnc2C(c2ccccn2)N2CCN3CCCC3C2)cc1
InChIInChI=1S/C21H24FN7/c22-17-8-6-16(7-9-17)14-29-21(24-25-26-29)20(19-5-1-2-10-23-19)28-13-12-27-11-3-4-18(27)15-28/h1-2,5-10,18,20H,3-4,11-15H2
InChIKeyOTHCPXKPELBAAZ-UHFFFAOYSA-N
XLogP2.12
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 3229303) is 2-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is Fc1ccc(Cn2nnnc2C(c2ccccn2)N2CCN3CCCC3C2)cc1.
What is the InChIKey of 2-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is OTHCPXKPELBAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN7/c22-17-8-6-16(7-9-17)14-29-21(24-25-26-29)20(19-5-1-2-10-23-19)28-13-12-27-11-3-4-18(27)15-28/h1-2,5-10,18,20H,3-4,11-15H2.
What are the key properties of 2-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 393.47 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 3229303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).