3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine

C22H23F2N9O — CID 46199617

About 3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine

3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine (PubChem CID 46199617) has the molecular formula C22H23F2N9O and a molecular weight of 467.48 g/mol. Its IUPAC name is 3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine
• PubChem CID: 46199617
• Molecular Formula: C22H23F2N9O
• Molecular Weight: 467.48 g/mol
• Exact Mass: 467.20
• IUPAC Name: 3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine
• SMILES: Cn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCN4CCCC4)c(F)c3F)c2)cn1
• InChI: InChI=1S/C22H23F2N9O/c1-31-13-15(12-27-31)14-10-16(21(25)26-11-14)22-28-29-30-33(22)17-4-5-18(20(24)19(17)23)34-9-8-32-6-2-3-7-32/h4-5,10-13H,2-3,6-9H2,1H3,(H2,25,26)
• InChIKey: RSQLNWIRPTULJS-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 112.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.48
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine?

The IUPAC name of 3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine (CID 46199617) is 3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine.

What is the SMILES notation for 3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine?

The canonical SMILES for 3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine is Cn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCN4CCCC4)c(F)c3F)c2)cn1.

What is the InChIKey of 3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine?

The InChIKey is RSQLNWIRPTULJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N9O/c1-31-13-15(12-27-31)14-10-16(21(25)26-11-14)22-28-29-30-33(22)17-4-5-18(20(24)19(17)23)34-9-8-32-6-2-3-7-32/h4-5,10-13H,2-3,6-9H2,1H3,(H2,25,26).

What are the key properties of 3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine?

3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 467.48 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 46199617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).