N-(1H-indazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-purin-2-amine

C19H12F3N7O — CID 118706735

IUPACN-(1H-indazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-purin-2-amine
SMILESFC(F)(F)Oc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)nc3nc[nH]c23)cc1
InChIInChI=1S/C19H12F3N7O/c20-19(21,22)30-13-4-1-10(2-5-13)15-16-17(24-9-23-16)28-18(27-15)26-12-3-6-14-11(7-12)8-25-29-14/h1-9H,(H,25,29)(H2,23,24,26,27,28)
InChIKeyHKICHHUOFGPALV-UHFFFAOYSA-N
MW411.35 g/mol
LogP4.54
Rot. Bonds4

About N-(1H-indazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-purin-2-amine

N-(1H-indazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-purin-2-amine (PubChem CID 118706735) has the molecular formula C19H12F3N7O and a molecular weight of 411.35 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-purin-2-amine.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-purin-2-amine
PubChem CID118706735
Molecular FormulaC19H12F3N7O
Molecular Weight411.35 g/mol
Exact Mass411.11
IUPAC NameN-(1H-indazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-purin-2-amine
SMILESFC(F)(F)Oc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)nc3nc[nH]c23)cc1
InChIInChI=1S/C19H12F3N7O/c20-19(21,22)30-13-4-1-10(2-5-13)15-16-17(24-9-23-16)28-18(27-15)26-12-3-6-14-11(7-12)8-25-29-14/h1-9H,(H,25,29)(H2,23,24,26,27,28)
InChIKeyHKICHHUOFGPALV-UHFFFAOYSA-N
XLogP4.54
TPSA104.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.35
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-5-amine
CID 162568313
6-N,6-N-dibenzyl-2-N-[4-(trifluoromethoxy)phenyl]-7H-purine-2,6-diamine
CID 118420739
methyl 4-[[4-[4-(trifluoromethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]benzoate
CID 141373883
N-ethyl-6-(4-methoxyphenyl)-7H-purin-2-amine
CID 123670391
N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030
3-[[2-[3-(trifluoromethoxy)anilino]-7H-purin-6-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 23585432
5-iodo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 116648818
4-[[6-(3-phenylphenyl)-7H-purin-2-yl]amino]benzenesulfonamide
CID 123132899
4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol
CID 59135376
5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine
CID 166380400
2-N-(1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2,3-diamine
CID 122654637
4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine
CID 68702577

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-purin-2-amine?
The IUPAC name of N-(1H-indazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-purin-2-amine (CID 118706735) is N-(1H-indazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-purin-2-amine.
What is the SMILES notation for N-(1H-indazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-purin-2-amine?
The canonical SMILES for N-(1H-indazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-purin-2-amine is FC(F)(F)Oc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)nc3nc[nH]c23)cc1.
What is the InChIKey of N-(1H-indazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-purin-2-amine?
The InChIKey is HKICHHUOFGPALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N7O/c20-19(21,22)30-13-4-1-10(2-5-13)15-16-17(24-9-23-16)28-18(27-15)26-12-3-6-14-11(7-12)8-25-29-14/h1-9H,(H,25,29)(H2,23,24,26,27,28).
What are the key properties of N-(1H-indazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-purin-2-amine?
N-(1H-indazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-purin-2-amine has a molecular weight of 411.35 g/mol, XLogP of 4.54, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-purin-2-amine is sourced from PubChem (CID 118706735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).