N-[1-[3-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-2-yl]ethyl]-7H-purin-6-amine

C21H18FN7 — CID 53303512

IUPACN-[1-[3-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-2-yl]ethyl]-7H-purin-6-amine
SMILESCc1ccn2c(-c3cccc(F)c3)c(C(C)Nc3ncnc4nc[nH]c34)nc2c1
InChIInChI=1S/C21H18FN7/c1-12-6-7-29-16(8-12)28-17(19(29)14-4-3-5-15(22)9-14)13(2)27-21-18-20(24-10-23-18)25-11-26-21/h3-11,13H,1-2H3,(H2,23,24,25,26,27)
InChIKeyIUHNYYOGABMJCK-UHFFFAOYSA-N
MW387.42 g/mol
LogP4.29
Rot. Bonds4

About N-[1-[3-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-2-yl]ethyl]-7H-purin-6-amine

N-[1-[3-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-2-yl]ethyl]-7H-purin-6-amine (PubChem CID 53303512) has the molecular formula C21H18FN7 and a molecular weight of 387.42 g/mol. Its IUPAC name is N-[1-[3-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-2-yl]ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[1-[3-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-2-yl]ethyl]-7H-purin-6-amine
PubChem CID53303512
Molecular FormulaC21H18FN7
Molecular Weight387.42 g/mol
Exact Mass387.16
IUPAC NameN-[1-[3-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-2-yl]ethyl]-7H-purin-6-amine
SMILESCc1ccn2c(-c3cccc(F)c3)c(C(C)Nc3ncnc4nc[nH]c34)nc2c1
InChIInChI=1S/C21H18FN7/c1-12-6-7-29-16(8-12)28-17(19(29)14-4-3-5-15(22)9-14)13(2)27-21-18-20(24-10-23-18)25-11-26-21/h3-11,13H,1-2H3,(H2,23,24,25,26,27)
InChIKeyIUHNYYOGABMJCK-UHFFFAOYSA-N
XLogP4.29
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 67511145
6-(3-fluorophenyl)-7-[1-(7H-purin-6-ylamino)ethyl]-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66863154
N-[(1S)-1-[5-chloro-3-(3-methylphenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine
CID 121486483
N-[1-[3-(4-fluorophenyl)-5-methylquinoxalin-2-yl]ethyl]-7H-purin-6-amine
CID 71550309
6-fluoro-3-(3-fluorophenyl)-2-[(1R)-1-(7H-purin-6-ylamino)ethyl]chromen-4-one
CID 53235314
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
5-fluoro-3-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043702
N-[1-[3,4-dichloro-1-(3-fluorophenyl)indol-2-yl]ethyl]-7H-purin-6-amine
CID 54767317
N-[1-[1-(3-fluorophenyl)-3-methylindol-2-yl]ethyl]-7H-purin-6-amine
CID 54767321
3-(3,5-difluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]pyrrolo[1,2-a][1,3,5]triazin-4-one
CID 70922299
3-(2,4-difluorophenyl)-5-fluoro-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043712
3-(2,4-difluorophenyl)-5-fluoro-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118044232

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-2-yl]ethyl]-7H-purin-6-amine?
The IUPAC name of N-[1-[3-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-2-yl]ethyl]-7H-purin-6-amine (CID 53303512) is N-[1-[3-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-2-yl]ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[1-[3-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-2-yl]ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[1-[3-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-2-yl]ethyl]-7H-purin-6-amine is Cc1ccn2c(-c3cccc(F)c3)c(C(C)Nc3ncnc4nc[nH]c34)nc2c1.
What is the InChIKey of N-[1-[3-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-2-yl]ethyl]-7H-purin-6-amine?
The InChIKey is IUHNYYOGABMJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7/c1-12-6-7-29-16(8-12)28-17(19(29)14-4-3-5-15(22)9-14)13(2)27-21-18-20(24-10-23-18)25-11-26-21/h3-11,13H,1-2H3,(H2,23,24,25,26,27).
What are the key properties of N-[1-[3-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-2-yl]ethyl]-7H-purin-6-amine?
N-[1-[3-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-2-yl]ethyl]-7H-purin-6-amine has a molecular weight of 387.42 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-2-yl]ethyl]-7H-purin-6-amine is sourced from PubChem (CID 53303512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).