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

IUPAC3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine
SMILESCn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCN4CCCC4)c(F)c3F)c2)cn1
InChIInChI=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)
InChIKeyRSQLNWIRPTULJS-UHFFFAOYSA-N
MW467.48 g/mol
LogP2.46
Rot. Bonds7

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 Name3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine
PubChem CID46199617
Molecular FormulaC22H23F2N9O
Molecular Weight467.48 g/mol
Exact Mass467.20
IUPAC Name3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine
SMILESCn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCN4CCCC4)c(F)c3F)c2)cn1
InChIInChI=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)
InChIKeyRSQLNWIRPTULJS-UHFFFAOYSA-N
XLogP2.46
TPSA112.80 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).