3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

C21H22FN9 — CID 25259435

IUPAC3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESCc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1
InChIInChI=1S/C21H22FN9/c1-13-2-3-19(18(22)8-13)31-21(27-28-29-31)17-9-14(10-25-20(17)23)15-11-26-30(12-15)16-4-6-24-7-5-16/h2-3,8-12,16,24H,4-7H2,1H3,(H2,23,25)
InChIKeyDAILXGPTOPFVSQ-UHFFFAOYSA-N
MW419.47 g/mol
LogP2.54
Rot. Bonds4

About 3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 25259435) has the molecular formula C21H22FN9 and a molecular weight of 419.47 g/mol. Its IUPAC name is 3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID25259435
Molecular FormulaC21H22FN9
Molecular Weight419.47 g/mol
Exact Mass419.20
IUPAC Name3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESCc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1
InChIInChI=1S/C21H22FN9/c1-13-2-3-19(18(22)8-13)31-21(27-28-29-31)17-9-14(10-25-20(17)23)15-11-26-30(12-15)16-4-6-24-7-5-16/h2-3,8-12,16,24H,4-7H2,1H3,(H2,23,25)
InChIKeyDAILXGPTOPFVSQ-UHFFFAOYSA-N
XLogP2.54
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 25259435) is 3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is Cc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1.
What is the InChIKey of 3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is DAILXGPTOPFVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN9/c1-13-2-3-19(18(22)8-13)31-21(27-28-29-31)17-9-14(10-25-20(17)23)15-11-26-30(12-15)16-4-6-24-7-5-16/h2-3,8-12,16,24H,4-7H2,1H3,(H2,23,25).
What are the key properties of 3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 419.47 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 25259435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).