2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-yl-5-[2-(2H-tetrazol-5-yl)ethoxy]pyrimidin-4-amine

C26H21FN10O — CID 89495310

IUPAC2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-yl-5-[2-(2H-tetrazol-5-yl)ethoxy]pyrimidin-4-amine
SMILESFc1ccccc1Cn1nc(-c2ncc(OCCc3nn[nH]n3)c(Nc3ccncc3)n2)c2ccccc21
InChIInChI=1S/C26H21FN10O/c27-20-7-3-1-5-17(20)16-37-21-8-4-2-6-19(21)24(34-37)26-29-15-22(38-14-11-23-32-35-36-33-23)25(31-26)30-18-9-12-28-13-10-18/h1-10,12-13,15H,11,14,16H2,(H,28,29,30,31)(H,32,33,35,36)
InChIKeyBCSODFJHVCJLQH-UHFFFAOYSA-N
MW508.52 g/mol
LogP3.95
Rot. Bonds9

About 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-yl-5-[2-(2H-tetrazol-5-yl)ethoxy]pyrimidin-4-amine

2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-yl-5-[2-(2H-tetrazol-5-yl)ethoxy]pyrimidin-4-amine (PubChem CID 89495310) has the molecular formula C26H21FN10O and a molecular weight of 508.52 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-yl-5-[2-(2H-tetrazol-5-yl)ethoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-yl-5-[2-(2H-tetrazol-5-yl)ethoxy]pyrimidin-4-amine
PubChem CID89495310
Molecular FormulaC26H21FN10O
Molecular Weight508.52 g/mol
Exact Mass508.19
IUPAC Name2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-yl-5-[2-(2H-tetrazol-5-yl)ethoxy]pyrimidin-4-amine
SMILESFc1ccccc1Cn1nc(-c2ncc(OCCc3nn[nH]n3)c(Nc3ccncc3)n2)c2ccccc21
InChIInChI=1S/C26H21FN10O/c27-20-7-3-1-5-17(20)16-37-21-8-4-2-6-19(21)24(34-37)26-29-15-22(38-14-11-23-32-35-36-33-23)25(31-26)30-18-9-12-28-13-10-18/h1-10,12-13,15H,11,14,16H2,(H,28,29,30,31)(H,32,33,35,36)
InChIKeyBCSODFJHVCJLQH-UHFFFAOYSA-N
XLogP3.95
TPSA132.21 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.52
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-yl-5-[2-(2H-tetrazol-5-yl)ethoxy]pyrimidin-4-amine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-yl-5-[2-(2H-tetrazol-5-yl)ethoxy]pyrimidin-4-amine (CID 89495310) is 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-yl-5-[2-(2H-tetrazol-5-yl)ethoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-yl-5-[2-(2H-tetrazol-5-yl)ethoxy]pyrimidin-4-amine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-yl-5-[2-(2H-tetrazol-5-yl)ethoxy]pyrimidin-4-amine is Fc1ccccc1Cn1nc(-c2ncc(OCCc3nn[nH]n3)c(Nc3ccncc3)n2)c2ccccc21.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-yl-5-[2-(2H-tetrazol-5-yl)ethoxy]pyrimidin-4-amine?
The InChIKey is BCSODFJHVCJLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN10O/c27-20-7-3-1-5-17(20)16-37-21-8-4-2-6-19(21)24(34-37)26-29-15-22(38-14-11-23-32-35-36-33-23)25(31-26)30-18-9-12-28-13-10-18/h1-10,12-13,15H,11,14,16H2,(H,28,29,30,31)(H,32,33,35,36).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-yl-5-[2-(2H-tetrazol-5-yl)ethoxy]pyrimidin-4-amine?
2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-yl-5-[2-(2H-tetrazol-5-yl)ethoxy]pyrimidin-4-amine has a molecular weight of 508.52 g/mol, XLogP of 3.95, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-yl-5-[2-(2H-tetrazol-5-yl)ethoxy]pyrimidin-4-amine is sourced from PubChem (CID 89495310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).