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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Related Compounds

[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxymethanesulfonamide
CID 71554316
(2S)-3-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxypropane-1,2-diol
CID 89487399
2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidine-5-carbonitrile
CID 86732462
2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-2-ylpyrimidin-4-amine
CID 130405195
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5-(2-methylsulfonylethoxy)-N-pyridin-4-ylpyrimidin-4-amine
CID 71554403
4-[[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid
CID 150397331
1-[3,5-difluoro-4-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]ethanone
CID 86732438
3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 86269149
5-methoxy-2-[1-(3-methylbut-2-enyl)indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine
CID 130430073
2-[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxy-1-(3-fluoroazetidin-1-yl)ethanone
CID 89487470
N-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-(pyridin-4-ylamino)pyrimidin-4-yl]-2-methoxyacetamide
CID 86274064
[2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]methanol;hydrochloride
CID 89488624

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).