2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-1H-imidazo[4,5-b]pyrazine

C16H15ClN4O — CID 20540604

IUPAC2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-1H-imidazo[4,5-b]pyrazine
SMILESCC1(C)CCc2cc(Cl)cc(-c3nc4nccnc4[nH]3)c2O1
InChIInChI=1S/C16H15ClN4O/c1-16(2)4-3-9-7-10(17)8-11(12(9)22-16)13-20-14-15(21-13)19-6-5-18-14/h5-8H,3-4H2,1-2H3,(H,18,19,20,21)
InChIKeyCEDRQPAQVZDSCZ-UHFFFAOYSA-N
MW314.78 g/mol
LogP3.78
Rot. Bonds1

About 2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-1H-imidazo[4,5-b]pyrazine

2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-1H-imidazo[4,5-b]pyrazine (PubChem CID 20540604) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-1H-imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-1H-imidazo[4,5-b]pyrazine
PubChem CID20540604
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-1H-imidazo[4,5-b]pyrazine
SMILESCC1(C)CCc2cc(Cl)cc(-c3nc4nccnc4[nH]3)c2O1
InChIInChI=1S/C16H15ClN4O/c1-16(2)4-3-9-7-10(17)8-11(12(9)22-16)13-20-14-15(21-13)19-6-5-18-14/h5-8H,3-4H2,1-2H3,(H,18,19,20,21)
InChIKeyCEDRQPAQVZDSCZ-UHFFFAOYSA-N
XLogP3.78
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-1H-imidazo[4,5-b]pyrazine?
The IUPAC name of 2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-1H-imidazo[4,5-b]pyrazine (CID 20540604) is 2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-1H-imidazo[4,5-b]pyrazine.
What is the SMILES notation for 2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-1H-imidazo[4,5-b]pyrazine?
The canonical SMILES for 2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-1H-imidazo[4,5-b]pyrazine is CC1(C)CCc2cc(Cl)cc(-c3nc4nccnc4[nH]3)c2O1.
What is the InChIKey of 2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-1H-imidazo[4,5-b]pyrazine?
The InChIKey is CEDRQPAQVZDSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-16(2)4-3-9-7-10(17)8-11(12(9)22-16)13-20-14-15(21-13)19-6-5-18-14/h5-8H,3-4H2,1-2H3,(H,18,19,20,21).
What are the key properties of 2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-1H-imidazo[4,5-b]pyrazine?
2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-1H-imidazo[4,5-b]pyrazine has a molecular weight of 314.78 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-1H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 20540604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).