1-[4-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone

C22H21F2N9O — CID 58179851

IUPAC1-[4-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nnnn4-c4cccc(F)c4F)c3)cn2)CC1
InChIInChI=1S/C22H21F2N9O/c1-13(34)31-7-5-16(6-8-31)32-12-15(11-27-32)14-9-17(21(25)26-10-14)22-28-29-30-33(22)19-4-2-3-18(23)20(19)24/h2-4,9-12,16H,5-8H2,1H3,(H2,25,26)
InChIKeyAJYATJDFZBDTGB-UHFFFAOYSA-N
MW465.47 g/mol
LogP2.63
Rot. Bonds4

About 1-[4-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone

1-[4-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 58179851) has the molecular formula C22H21F2N9O and a molecular weight of 465.47 g/mol. Its IUPAC name is 1-[4-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID58179851
Molecular FormulaC22H21F2N9O
Molecular Weight465.47 g/mol
Exact Mass465.18
IUPAC Name1-[4-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nnnn4-c4cccc(F)c4F)c3)cn2)CC1
InChIInChI=1S/C22H21F2N9O/c1-13(34)31-7-5-16(6-8-31)32-12-15(11-27-32)14-9-17(21(25)26-10-14)22-28-29-30-33(22)19-4-2-3-18(23)20(19)24/h2-4,9-12,16H,5-8H2,1H3,(H2,25,26)
InChIKeyAJYATJDFZBDTGB-UHFFFAOYSA-N
XLogP2.63
TPSA120.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[4-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone (CID 58179851) is 1-[4-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nnnn4-c4cccc(F)c4F)c3)cn2)CC1.
What is the InChIKey of 1-[4-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is AJYATJDFZBDTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N9O/c1-13(34)31-7-5-16(6-8-31)32-12-15(11-27-32)14-9-17(21(25)26-10-14)22-28-29-30-33(22)19-4-2-3-18(23)20(19)24/h2-4,9-12,16H,5-8H2,1H3,(H2,25,26).
What are the key properties of 1-[4-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 465.47 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 58179851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).