3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

C24H28F2N10O — CID 45273896

IUPAC3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESCN(C)CCOc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1F
InChIInChI=1S/C24H28F2N10O/c1-34(2)9-10-37-20-4-3-19(21(25)22(20)26)36-24(31-32-33-36)18-11-15(12-29-23(18)27)16-13-30-35(14-16)17-5-7-28-8-6-17/h3-4,11-14,17,28H,5-10H2,1-2H3,(H2,27,29)
InChIKeyGYVHDTZITAZFJQ-UHFFFAOYSA-N
MW510.55 g/mol
LogP2.31
Rot. Bonds8

About 3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 45273896) has the molecular formula C24H28F2N10O and a molecular weight of 510.55 g/mol. Its IUPAC name is 3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID45273896
Molecular FormulaC24H28F2N10O
Molecular Weight510.55 g/mol
Exact Mass510.24
IUPAC Name3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESCN(C)CCOc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1F
InChIInChI=1S/C24H28F2N10O/c1-34(2)9-10-37-20-4-3-19(21(25)22(20)26)36-24(31-32-33-36)18-11-15(12-29-23(18)27)16-13-30-35(14-16)17-5-7-28-8-6-17/h3-4,11-14,17,28H,5-10H2,1-2H3,(H2,27,29)
InChIKeyGYVHDTZITAZFJQ-UHFFFAOYSA-N
XLogP2.31
TPSA124.83 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.55
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 45273896) is 3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is CN(C)CCOc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1F.
What is the InChIKey of 3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is GYVHDTZITAZFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N10O/c1-34(2)9-10-37-20-4-3-19(21(25)22(20)26)36-24(31-32-33-36)18-11-15(12-29-23(18)27)16-13-30-35(14-16)17-5-7-28-8-6-17/h3-4,11-14,17,28H,5-10H2,1-2H3,(H2,27,29).
What are the key properties of 3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 510.55 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 45273896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).