1-(cyclopropylmethyl)-5-quinolin-5-yl-3H-imidazo[4,5-b]pyrazin-2-one

C18H15N5O — CID 126473251

IUPAC1-(cyclopropylmethyl)-5-quinolin-5-yl-3H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2nc(-c3cccc4ncccc34)cnc2n1CC1CC1
InChIInChI=1S/C18H15N5O/c24-18-22-16-17(23(18)10-11-6-7-11)20-9-15(21-16)13-3-1-5-14-12(13)4-2-8-19-14/h1-5,8-9,11H,6-7,10H2,(H,21,22,24)
InChIKeyAHLYXMDLJJYIGP-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.74
Rot. Bonds3

About 1-(cyclopropylmethyl)-5-quinolin-5-yl-3H-imidazo[4,5-b]pyrazin-2-one

1-(cyclopropylmethyl)-5-quinolin-5-yl-3H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 126473251) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-quinolin-5-yl-3H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-quinolin-5-yl-3H-imidazo[4,5-b]pyrazin-2-one
PubChem CID126473251
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name1-(cyclopropylmethyl)-5-quinolin-5-yl-3H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2nc(-c3cccc4ncccc34)cnc2n1CC1CC1
InChIInChI=1S/C18H15N5O/c24-18-22-16-17(23(18)10-11-6-7-11)20-9-15(21-16)13-3-1-5-14-12(13)4-2-8-19-14/h1-5,8-9,11H,6-7,10H2,(H,21,22,24)
InChIKeyAHLYXMDLJJYIGP-UHFFFAOYSA-N
XLogP2.74
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-quinolin-5-yl-3H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-5-quinolin-5-yl-3H-imidazo[4,5-b]pyrazin-2-one (CID 126473251) is 1-(cyclopropylmethyl)-5-quinolin-5-yl-3H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-quinolin-5-yl-3H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-5-quinolin-5-yl-3H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2nc(-c3cccc4ncccc34)cnc2n1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-quinolin-5-yl-3H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is AHLYXMDLJJYIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c24-18-22-16-17(23(18)10-11-6-7-11)20-9-15(21-16)13-3-1-5-14-12(13)4-2-8-19-14/h1-5,8-9,11H,6-7,10H2,(H,21,22,24).
What are the key properties of 1-(cyclopropylmethyl)-5-quinolin-5-yl-3H-imidazo[4,5-b]pyrazin-2-one?
1-(cyclopropylmethyl)-5-quinolin-5-yl-3H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 317.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-quinolin-5-yl-3H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 126473251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).