N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine

C20H15ClFN7 — CID 53465270

IUPACN-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine
SMILESCC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2cncn2c1-c1cccc(F)c1
InChIInChI=1S/C20H15ClFN7/c1-11(28-20-17-19(25-8-24-17)26-9-27-20)14-6-15(21)16-7-23-10-29(16)18(14)12-3-2-4-13(22)5-12/h2-11H,1H3,(H2,24,25,26,27,28)
InChIKeyVGHYNTJVONZAKN-UHFFFAOYSA-N
MW407.84 g/mol
LogP4.63
Rot. Bonds4

About N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine

N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine (PubChem CID 53465270) has the molecular formula C20H15ClFN7 and a molecular weight of 407.84 g/mol. Its IUPAC name is N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine
PubChem CID53465270
Molecular FormulaC20H15ClFN7
Molecular Weight407.84 g/mol
Exact Mass407.11
IUPAC NameN-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine
SMILESCC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2cncn2c1-c1cccc(F)c1
InChIInChI=1S/C20H15ClFN7/c1-11(28-20-17-19(25-8-24-17)26-9-27-20)14-6-15(21)16-7-23-10-29(16)18(14)12-3-2-4-13(22)5-12/h2-11H,1H3,(H2,24,25,26,27,28)
InChIKeyVGHYNTJVONZAKN-UHFFFAOYSA-N
XLogP4.63
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.84
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine?
The IUPAC name of N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine (CID 53465270) is N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine is CC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2cncn2c1-c1cccc(F)c1.
What is the InChIKey of N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine?
The InChIKey is VGHYNTJVONZAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN7/c1-11(28-20-17-19(25-8-24-17)26-9-27-20)14-6-15(21)16-7-23-10-29(16)18(14)12-3-2-4-13(22)5-12/h2-11H,1H3,(H2,24,25,26,27,28).
What are the key properties of N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine?
N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine has a molecular weight of 407.84 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine is sourced from PubChem (CID 53465270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).