5-bromo-3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine

C16H13BrF2N6O — CID 58293755

IUPAC5-bromo-3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine
SMILESNc1ncc(Br)cc1-c1nnnn1-c1ccc(OCC2CC2)c(F)c1F
InChIInChI=1S/C16H13BrF2N6O/c17-9-5-10(15(20)21-6-9)16-22-23-24-25(16)11-3-4-12(14(19)13(11)18)26-7-8-1-2-8/h3-6,8H,1-2,7H2,(H2,20,21)
InChIKeyPLQHNWIGRFGIJT-UHFFFAOYSA-N
MW423.22 g/mol
LogP3.14
Rot. Bonds5

About 5-bromo-3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine

5-bromo-3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine (PubChem CID 58293755) has the molecular formula C16H13BrF2N6O and a molecular weight of 423.22 g/mol. Its IUPAC name is 5-bromo-3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine
PubChem CID58293755
Molecular FormulaC16H13BrF2N6O
Molecular Weight423.22 g/mol
Exact Mass422.03
IUPAC Name5-bromo-3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine
SMILESNc1ncc(Br)cc1-c1nnnn1-c1ccc(OCC2CC2)c(F)c1F
InChIInChI=1S/C16H13BrF2N6O/c17-9-5-10(15(20)21-6-9)16-22-23-24-25(16)11-3-4-12(14(19)13(11)18)26-7-8-1-2-8/h3-6,8H,1-2,7H2,(H2,20,21)
InChIKeyPLQHNWIGRFGIJT-UHFFFAOYSA-N
XLogP3.14
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.22
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-bromo-3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-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 5-bromo-3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine (CID 58293755) is 5-bromo-3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine is Nc1ncc(Br)cc1-c1nnnn1-c1ccc(OCC2CC2)c(F)c1F.
What is the InChIKey of 5-bromo-3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine?
The InChIKey is PLQHNWIGRFGIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF2N6O/c17-9-5-10(15(20)21-6-9)16-22-23-24-25(16)11-3-4-12(14(19)13(11)18)26-7-8-1-2-8/h3-6,8H,1-2,7H2,(H2,20,21).
What are the key properties of 5-bromo-3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine?
5-bromo-3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine has a molecular weight of 423.22 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 58293755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).