1-[1-[6-fluoro-1-(3-fluorophenyl)indazol-3-yl]ethyl]-7H-purin-6-imine

C20H15F2N7 — CID 155664702

IUPAC1-[1-[6-fluoro-1-(3-fluorophenyl)indazol-3-yl]ethyl]-7H-purin-6-imine
SMILES[H]/N=c1\c2[nH]cnc2ncn1C(C)c1nn(-c2cccc(F)c2)c2cc(F)ccc12
InChIInChI=1S/C20H15F2N7/c1-11(28-10-26-20-18(19(28)23)24-9-25-20)17-15-6-5-13(22)8-16(15)29(27-17)14-4-2-3-12(21)7-14/h2-11,23H,1H3,(H,24,25)/b23-19+
InChIKeyUGYMYLQGZRSHRT-FCDQGJHFSA-N
MW391.39 g/mol
LogP3.47
Rot. Bonds3

About 1-[1-[6-fluoro-1-(3-fluorophenyl)indazol-3-yl]ethyl]-7H-purin-6-imine

1-[1-[6-fluoro-1-(3-fluorophenyl)indazol-3-yl]ethyl]-7H-purin-6-imine (PubChem CID 155664702) has the molecular formula C20H15F2N7 and a molecular weight of 391.39 g/mol. Its IUPAC name is 1-[1-[6-fluoro-1-(3-fluorophenyl)indazol-3-yl]ethyl]-7H-purin-6-imine.

Molecular Properties

Compound Name1-[1-[6-fluoro-1-(3-fluorophenyl)indazol-3-yl]ethyl]-7H-purin-6-imine
PubChem CID155664702
Molecular FormulaC20H15F2N7
Molecular Weight391.39 g/mol
Exact Mass391.14
IUPAC Name1-[1-[6-fluoro-1-(3-fluorophenyl)indazol-3-yl]ethyl]-7H-purin-6-imine
SMILES[H]/N=c1\c2[nH]cnc2ncn1C(C)c1nn(-c2cccc(F)c2)c2cc(F)ccc12
InChIInChI=1S/C20H15F2N7/c1-11(28-10-26-20-18(19(28)23)24-9-25-20)17-15-6-5-13(22)8-16(15)29(27-17)14-4-2-3-12(21)7-14/h2-11,23H,1H3,(H,24,25)/b23-19+
InChIKeyUGYMYLQGZRSHRT-FCDQGJHFSA-N
XLogP3.47
TPSA88.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1S)-1-(5-methyl-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-imine
CID 155664688
N-[(1S)-1-(6-fluoro-1-pyridin-3-ylindazol-3-yl)propyl]-7H-purin-6-amine
CID 147425633
N-[1-[1-(3-fluorophenyl)-3-methylindol-2-yl]ethyl]-7H-purin-6-amine
CID 54767321
1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazol-5-amine
CID 82082768
N-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine
CID 155223231
N-[1-[3,4-dichloro-1-(3-fluorophenyl)indol-2-yl]ethyl]-7H-purin-6-amine
CID 54767317
5-chloro-3-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 73053371
2-(2-fluorophenyl)-1-methyl-7H-purin-6-imine
CID 137123533
N-[(3-fluorophenyl)methyl]-N-methyl-7H-purin-6-amine
CID 94145814
N-[2-[4-chloro-1-(3-fluorophenyl)indol-2-yl]ethyl]-7H-purin-6-amine
CID 123513783
N-[1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 67511145
3-(3-fluorophenyl)-6-[(1R)-1-phenylethyl]triazolo[4,5-d]pyrimidin-7-one
CID 7475955

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-fluoro-1-(3-fluorophenyl)indazol-3-yl]ethyl]-7H-purin-6-imine?
The IUPAC name of 1-[1-[6-fluoro-1-(3-fluorophenyl)indazol-3-yl]ethyl]-7H-purin-6-imine (CID 155664702) is 1-[1-[6-fluoro-1-(3-fluorophenyl)indazol-3-yl]ethyl]-7H-purin-6-imine.
What is the SMILES notation for 1-[1-[6-fluoro-1-(3-fluorophenyl)indazol-3-yl]ethyl]-7H-purin-6-imine?
The canonical SMILES for 1-[1-[6-fluoro-1-(3-fluorophenyl)indazol-3-yl]ethyl]-7H-purin-6-imine is [H]/N=c1\c2[nH]cnc2ncn1C(C)c1nn(-c2cccc(F)c2)c2cc(F)ccc12.
What is the InChIKey of 1-[1-[6-fluoro-1-(3-fluorophenyl)indazol-3-yl]ethyl]-7H-purin-6-imine?
The InChIKey is UGYMYLQGZRSHRT-FCDQGJHFSA-N. The full InChI is InChI=1S/C20H15F2N7/c1-11(28-10-26-20-18(19(28)23)24-9-25-20)17-15-6-5-13(22)8-16(15)29(27-17)14-4-2-3-12(21)7-14/h2-11,23H,1H3,(H,24,25)/b23-19+.
What are the key properties of 1-[1-[6-fluoro-1-(3-fluorophenyl)indazol-3-yl]ethyl]-7H-purin-6-imine?
1-[1-[6-fluoro-1-(3-fluorophenyl)indazol-3-yl]ethyl]-7H-purin-6-imine has a molecular weight of 391.39 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-fluoro-1-(3-fluorophenyl)indazol-3-yl]ethyl]-7H-purin-6-imine is sourced from PubChem (CID 155664702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).