3-[1-(2,3-difluoro-4-propoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

C23H25F2N9O — CID 25259204

IUPAC3-[1-(2,3-difluoro-4-propoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESCCCOc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1F
InChIInChI=1S/C23H25F2N9O/c1-2-9-35-19-4-3-18(20(24)21(19)25)34-23(30-31-32-34)17-10-14(11-28-22(17)26)15-12-29-33(13-15)16-5-7-27-8-6-16/h3-4,10-13,16,27H,2,5-9H2,1H3,(H2,26,28)
InChIKeyNAZJWYQGXDUUCZ-UHFFFAOYSA-N
MW481.51 g/mol
LogP3.16
Rot. Bonds7

About 3-[1-(2,3-difluoro-4-propoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

3-[1-(2,3-difluoro-4-propoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 25259204) has the molecular formula C23H25F2N9O and a molecular weight of 481.51 g/mol. Its IUPAC name is 3-[1-(2,3-difluoro-4-propoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2,3-difluoro-4-propoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID25259204
Molecular FormulaC23H25F2N9O
Molecular Weight481.51 g/mol
Exact Mass481.22
IUPAC Name3-[1-(2,3-difluoro-4-propoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESCCCOc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1F
InChIInChI=1S/C23H25F2N9O/c1-2-9-35-19-4-3-18(20(24)21(19)25)34-23(30-31-32-34)17-10-14(11-28-22(17)26)15-12-29-33(13-15)16-5-7-27-8-6-16/h3-4,10-13,16,27H,2,5-9H2,1H3,(H2,26,28)
InChIKeyNAZJWYQGXDUUCZ-UHFFFAOYSA-N
XLogP3.16
TPSA121.59 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-difluoro-4-propoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[1-(2,3-difluoro-4-propoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 25259204) is 3-[1-(2,3-difluoro-4-propoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[1-(2,3-difluoro-4-propoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[1-(2,3-difluoro-4-propoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is CCCOc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1F.
What is the InChIKey of 3-[1-(2,3-difluoro-4-propoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is NAZJWYQGXDUUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N9O/c1-2-9-35-19-4-3-18(20(24)21(19)25)34-23(30-31-32-34)17-10-14(11-28-22(17)26)15-12-29-33(13-15)16-5-7-27-8-6-16/h3-4,10-13,16,27H,2,5-9H2,1H3,(H2,26,28).
What are the key properties of 3-[1-(2,3-difluoro-4-propoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-[1-(2,3-difluoro-4-propoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 481.51 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-difluoro-4-propoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 25259204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).