N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine

C21H17F2N7 — CID 71461550

IUPACN-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine
SMILESCc1cccn2c(C(C)Nc3ncnc4nc[nH]c34)c(-c3cc(F)cc(F)c3)nc12
InChIInChI=1S/C21H17F2N7/c1-11-4-3-5-30-18(12(2)28-20-17-19(25-9-24-17)26-10-27-20)16(29-21(11)30)13-6-14(22)8-15(23)7-13/h3-10,12H,1-2H3,(H2,24,25,26,27,28)
InChIKeyCPTIBQXPYIQVLM-UHFFFAOYSA-N
MW405.41 g/mol
LogP4.43
Rot. Bonds4

About N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine

N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine (PubChem CID 71461550) has the molecular formula C21H17F2N7 and a molecular weight of 405.41 g/mol. Its IUPAC name is N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine
PubChem CID71461550
Molecular FormulaC21H17F2N7
Molecular Weight405.41 g/mol
Exact Mass405.15
IUPAC NameN-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine
SMILESCc1cccn2c(C(C)Nc3ncnc4nc[nH]c34)c(-c3cc(F)cc(F)c3)nc12
InChIInChI=1S/C21H17F2N7/c1-11-4-3-5-30-18(12(2)28-20-17-19(25-9-24-17)26-10-27-20)16(29-21(11)30)13-6-14(22)8-15(23)7-13/h3-10,12H,1-2H3,(H2,24,25,26,27,28)
InChIKeyCPTIBQXPYIQVLM-UHFFFAOYSA-N
XLogP4.43
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine?
The IUPAC name of N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine (CID 71461550) is N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine is Cc1cccn2c(C(C)Nc3ncnc4nc[nH]c34)c(-c3cc(F)cc(F)c3)nc12.
What is the InChIKey of N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine?
The InChIKey is CPTIBQXPYIQVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N7/c1-11-4-3-5-30-18(12(2)28-20-17-19(25-9-24-17)26-10-27-20)16(29-21(11)30)13-6-14(22)8-15(23)7-13/h3-10,12H,1-2H3,(H2,24,25,26,27,28).
What are the key properties of N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine?
N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine has a molecular weight of 405.41 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine is sourced from PubChem (CID 71461550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).