[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-3-ylmethanone

C23H24F2N8O — CID 58179540

IUPAC[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-3-ylmethanone
SMILESNc1ncc(C2=CCN(C(=O)C3CCCNC3)CC2)cc1-c1nnnn1-c1cccc(F)c1F
InChIInChI=1S/C23H24F2N8O/c24-18-4-1-5-19(20(18)25)33-22(29-30-31-33)17-11-16(13-28-21(17)26)14-6-9-32(10-7-14)23(34)15-3-2-8-27-12-15/h1,4-6,11,13,15,27H,2-3,7-10,12H2,(H2,26,28)
InChIKeyUPJWEOWBIWLLBR-UHFFFAOYSA-N
MW466.50 g/mol
LogP2.20
Rot. Bonds4

About [4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-3-ylmethanone

[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-3-ylmethanone (PubChem CID 58179540) has the molecular formula C23H24F2N8O and a molecular weight of 466.50 g/mol. Its IUPAC name is [4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-3-ylmethanone.

Molecular Properties

Compound Name[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-3-ylmethanone
PubChem CID58179540
Molecular FormulaC23H24F2N8O
Molecular Weight466.50 g/mol
Exact Mass466.20
IUPAC Name[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-3-ylmethanone
SMILESNc1ncc(C2=CCN(C(=O)C3CCCNC3)CC2)cc1-c1nnnn1-c1cccc(F)c1F
InChIInChI=1S/C23H24F2N8O/c24-18-4-1-5-19(20(18)25)33-22(29-30-31-33)17-11-16(13-28-21(17)26)14-6-9-32(10-7-14)23(34)15-3-2-8-27-12-15/h1,4-6,11,13,15,27H,2-3,7-10,12H2,(H2,26,28)
InChIKeyUPJWEOWBIWLLBR-UHFFFAOYSA-N
XLogP2.20
TPSA114.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-3-ylmethanone?
The IUPAC name of [4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-3-ylmethanone (CID 58179540) is [4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-3-ylmethanone.
What is the SMILES notation for [4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-3-ylmethanone?
The canonical SMILES for [4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-3-ylmethanone is Nc1ncc(C2=CCN(C(=O)C3CCCNC3)CC2)cc1-c1nnnn1-c1cccc(F)c1F.
What is the InChIKey of [4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-3-ylmethanone?
The InChIKey is UPJWEOWBIWLLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N8O/c24-18-4-1-5-19(20(18)25)33-22(29-30-31-33)17-11-16(13-28-21(17)26)14-6-9-32(10-7-14)23(34)15-3-2-8-27-12-15/h1,4-6,11,13,15,27H,2-3,7-10,12H2,(H2,26,28).
What are the key properties of [4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-3-ylmethanone?
[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-3-ylmethanone has a molecular weight of 466.50 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-3-ylmethanone is sourced from PubChem (CID 58179540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).