[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C17H15F2N7O — CID 58180159

IUPAC[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESNc1ncc(C(=O)N2CCCC2)cc1-c1nnnn1-c1cccc(F)c1F
InChIInChI=1S/C17H15F2N7O/c18-12-4-3-5-13(14(12)19)26-16(22-23-24-26)11-8-10(9-21-15(11)20)17(27)25-6-1-2-7-25/h3-5,8-9H,1-2,6-7H2,(H2,20,21)
InChIKeyHMKPNESSMWCFCZ-UHFFFAOYSA-N
MW371.35 g/mol
LogP1.82
Rot. Bonds3

About [6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 58180159) has the molecular formula C17H15F2N7O and a molecular weight of 371.35 g/mol. Its IUPAC name is [6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID58180159
Molecular FormulaC17H15F2N7O
Molecular Weight371.35 g/mol
Exact Mass371.13
IUPAC Name[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESNc1ncc(C(=O)N2CCCC2)cc1-c1nnnn1-c1cccc(F)c1F
InChIInChI=1S/C17H15F2N7O/c18-12-4-3-5-13(14(12)19)26-16(22-23-24-26)11-8-10(9-21-15(11)20)17(27)25-6-1-2-7-25/h3-5,8-9H,1-2,6-7H2,(H2,20,21)
InChIKeyHMKPNESSMWCFCZ-UHFFFAOYSA-N
XLogP1.82
TPSA102.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 58180159) is [6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is Nc1ncc(C(=O)N2CCCC2)cc1-c1nnnn1-c1cccc(F)c1F.
What is the InChIKey of [6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is HMKPNESSMWCFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N7O/c18-12-4-3-5-13(14(12)19)26-16(22-23-24-26)11-8-10(9-21-15(11)20)17(27)25-6-1-2-7-25/h3-5,8-9H,1-2,6-7H2,(H2,20,21).
What are the key properties of [6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 371.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 58180159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).