3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine

C23H25F2N9 — CID 58180078

IUPAC3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
SMILESCC(C)N1CCC(n2cc(-c3cnc(N)c(-c4nnnn4-c4cccc(F)c4F)c3)cn2)CC1
InChIInChI=1S/C23H25F2N9/c1-14(2)32-8-6-17(7-9-32)33-13-16(12-28-33)15-10-18(22(26)27-11-15)23-29-30-31-34(23)20-5-3-4-19(24)21(20)25/h3-5,10-14,17H,6-9H2,1-2H3,(H2,26,27)
InChIKeyGJUQJYLDBOEFMF-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.49
Rot. Bonds5

About 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine

3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine (PubChem CID 58180078) has the molecular formula C23H25F2N9 and a molecular weight of 465.51 g/mol. Its IUPAC name is 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
PubChem CID58180078
Molecular FormulaC23H25F2N9
Molecular Weight465.51 g/mol
Exact Mass465.22
IUPAC Name3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
SMILESCC(C)N1CCC(n2cc(-c3cnc(N)c(-c4nnnn4-c4cccc(F)c4F)c3)cn2)CC1
InChIInChI=1S/C23H25F2N9/c1-14(2)32-8-6-17(7-9-32)33-13-16(12-28-33)15-10-18(22(26)27-11-15)23-29-30-31-34(23)20-5-3-4-19(24)21(20)25/h3-5,10-14,17H,6-9H2,1-2H3,(H2,26,27)
InChIKeyGJUQJYLDBOEFMF-UHFFFAOYSA-N
XLogP3.49
TPSA103.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine (CID 58180078) is 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine is CC(C)N1CCC(n2cc(-c3cnc(N)c(-c4nnnn4-c4cccc(F)c4F)c3)cn2)CC1.
What is the InChIKey of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine?
The InChIKey is GJUQJYLDBOEFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N9/c1-14(2)32-8-6-17(7-9-32)33-13-16(12-28-33)15-10-18(22(26)27-11-15)23-29-30-31-34(23)20-5-3-4-19(24)21(20)25/h3-5,10-14,17H,6-9H2,1-2H3,(H2,26,27).
What are the key properties of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine?
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine has a molecular weight of 465.51 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 58180078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).