5-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine

C23H23F2N9O — CID 25258503

IUPAC5-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine
SMILESCOc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CC5CCC(C4)N5)c3)cnc2N)c(F)c1F
InChIInChI=1S/C23H23F2N9O/c1-35-19-5-4-18(20(24)21(19)25)34-23(30-31-32-34)17-6-12(9-27-22(17)26)13-10-28-33(11-13)16-7-14-2-3-15(8-16)29-14/h4-6,9-11,14-16,29H,2-3,7-8H2,1H3,(H2,26,27)
InChIKeyLVQDTDYPHGUDAO-UHFFFAOYSA-N
MW479.50 g/mol
LogP2.91
Rot. Bonds5

About 5-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine

5-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine (PubChem CID 25258503) has the molecular formula C23H23F2N9O and a molecular weight of 479.50 g/mol. Its IUPAC name is 5-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine
PubChem CID25258503
Molecular FormulaC23H23F2N9O
Molecular Weight479.50 g/mol
Exact Mass479.20
IUPAC Name5-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine
SMILESCOc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CC5CCC(C4)N5)c3)cnc2N)c(F)c1F
InChIInChI=1S/C23H23F2N9O/c1-35-19-5-4-18(20(24)21(19)25)34-23(30-31-32-34)17-6-12(9-27-22(17)26)13-10-28-33(11-13)16-7-14-2-3-15(8-16)29-14/h4-6,9-11,14-16,29H,2-3,7-8H2,1H3,(H2,26,27)
InChIKeyLVQDTDYPHGUDAO-UHFFFAOYSA-N
XLogP2.91
TPSA121.59 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.50
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine (CID 25258503) is 5-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine is COc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CC5CCC(C4)N5)c3)cnc2N)c(F)c1F.
What is the InChIKey of 5-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine?
The InChIKey is LVQDTDYPHGUDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N9O/c1-35-19-5-4-18(20(24)21(19)25)34-23(30-31-32-34)17-6-12(9-27-22(17)26)13-10-28-33(11-13)16-7-14-2-3-15(8-16)29-14/h4-6,9-11,14-16,29H,2-3,7-8H2,1H3,(H2,26,27).
What are the key properties of 5-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine?
5-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine has a molecular weight of 479.50 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 25258503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).