N-[1-[1-(3-fluorophenyl)-3-methylindol-2-yl]ethyl]-7H-purin-6-amine

C22H19FN6 — CID 54767321

IUPACN-[1-[1-(3-fluorophenyl)-3-methylindol-2-yl]ethyl]-7H-purin-6-amine
SMILESCc1c(C(C)Nc2ncnc3nc[nH]c23)n(-c2cccc(F)c2)c2ccccc12
InChIInChI=1S/C22H19FN6/c1-13-17-8-3-4-9-18(17)29(16-7-5-6-15(23)10-16)20(13)14(2)28-22-19-21(25-11-24-19)26-12-27-22/h3-12,14H,1-2H3,(H2,24,25,26,27,28)
InChIKeyKTMODIIPPVBPOP-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.92
Rot. Bonds4

About N-[1-[1-(3-fluorophenyl)-3-methylindol-2-yl]ethyl]-7H-purin-6-amine

N-[1-[1-(3-fluorophenyl)-3-methylindol-2-yl]ethyl]-7H-purin-6-amine (PubChem CID 54767321) has the molecular formula C22H19FN6 and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[1-[1-(3-fluorophenyl)-3-methylindol-2-yl]ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[1-[1-(3-fluorophenyl)-3-methylindol-2-yl]ethyl]-7H-purin-6-amine
PubChem CID54767321
Molecular FormulaC22H19FN6
Molecular Weight386.43 g/mol
Exact Mass386.17
IUPAC NameN-[1-[1-(3-fluorophenyl)-3-methylindol-2-yl]ethyl]-7H-purin-6-amine
SMILESCc1c(C(C)Nc2ncnc3nc[nH]c23)n(-c2cccc(F)c2)c2ccccc12
InChIInChI=1S/C22H19FN6/c1-13-17-8-3-4-9-18(17)29(16-7-5-6-15(23)10-16)20(13)14(2)28-22-19-21(25-11-24-19)26-12-27-22/h3-12,14H,1-2H3,(H2,24,25,26,27,28)
InChIKeyKTMODIIPPVBPOP-UHFFFAOYSA-N
XLogP4.92
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3,4-dichloro-1-(3-fluorophenyl)indol-2-yl]ethyl]-7H-purin-6-amine
CID 54767317
5-fluoro-3-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043702
6-fluoro-3-phenyl-2-[(1R)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043854
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-(3-fluorophenyl)-8-methyl-3-[1-(7H-purin-6-ylamino)ethyl]-1H-isoquinolin-1-ol
CID 149417597
N-[2-[4-chloro-1-(3-fluorophenyl)indol-2-yl]ethyl]-7H-purin-6-amine
CID 123513783
N-[(1R)-1-phenylethyl]-7H-purin-6-amine
CID 2155048
N-[1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 67511145
3-(3,5-difluorophenyl)-6-fluoro-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118044120
N-[1-[3-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-2-yl]ethyl]-7H-purin-6-amine
CID 53303512
N-[(1S)-1-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine
CID 70922773
N-[(1R)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[(1S)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine
CID 158562573

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-fluorophenyl)-3-methylindol-2-yl]ethyl]-7H-purin-6-amine?
The IUPAC name of N-[1-[1-(3-fluorophenyl)-3-methylindol-2-yl]ethyl]-7H-purin-6-amine (CID 54767321) is N-[1-[1-(3-fluorophenyl)-3-methylindol-2-yl]ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[1-[1-(3-fluorophenyl)-3-methylindol-2-yl]ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[1-[1-(3-fluorophenyl)-3-methylindol-2-yl]ethyl]-7H-purin-6-amine is Cc1c(C(C)Nc2ncnc3nc[nH]c23)n(-c2cccc(F)c2)c2ccccc12.
What is the InChIKey of N-[1-[1-(3-fluorophenyl)-3-methylindol-2-yl]ethyl]-7H-purin-6-amine?
The InChIKey is KTMODIIPPVBPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6/c1-13-17-8-3-4-9-18(17)29(16-7-5-6-15(23)10-16)20(13)14(2)28-22-19-21(25-11-24-19)26-12-27-22/h3-12,14H,1-2H3,(H2,24,25,26,27,28).
What are the key properties of N-[1-[1-(3-fluorophenyl)-3-methylindol-2-yl]ethyl]-7H-purin-6-amine?
N-[1-[1-(3-fluorophenyl)-3-methylindol-2-yl]ethyl]-7H-purin-6-amine has a molecular weight of 386.43 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-fluorophenyl)-3-methylindol-2-yl]ethyl]-7H-purin-6-amine is sourced from PubChem (CID 54767321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).