3-(1H-benzimidazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)propan-1-one

C18H19N5O — CID 154803317

IUPAC3-(1H-benzimidazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)propan-1-one
SMILESCc1cnc2c(c1)N(C(=O)CCc1nc3ccccc3[nH]1)CCN2
InChIInChI=1S/C18H19N5O/c1-12-10-15-18(20-11-12)19-8-9-23(15)17(24)7-6-16-21-13-4-2-3-5-14(13)22-16/h2-5,10-11H,6-9H2,1H3,(H,19,20)(H,21,22)
InChIKeyTUQIGTOVRPMKJU-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.66
Rot. Bonds3

About 3-(1H-benzimidazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)propan-1-one

3-(1H-benzimidazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)propan-1-one (PubChem CID 154803317) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)propan-1-one
PubChem CID154803317
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name3-(1H-benzimidazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)propan-1-one
SMILESCc1cnc2c(c1)N(C(=O)CCc1nc3ccccc3[nH]1)CCN2
InChIInChI=1S/C18H19N5O/c1-12-10-15-18(20-11-12)19-8-9-23(15)17(24)7-6-16-21-13-4-2-3-5-14(13)22-16/h2-5,10-11H,6-9H2,1H3,(H,19,20)(H,21,22)
InChIKeyTUQIGTOVRPMKJU-UHFFFAOYSA-N
XLogP2.66
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)propan-1-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)propan-1-one (CID 154803317) is 3-(1H-benzimidazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)propan-1-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)propan-1-one is Cc1cnc2c(c1)N(C(=O)CCc1nc3ccccc3[nH]1)CCN2.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)propan-1-one?
The InChIKey is TUQIGTOVRPMKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-10-15-18(20-11-12)19-8-9-23(15)17(24)7-6-16-21-13-4-2-3-5-14(13)22-16/h2-5,10-11H,6-9H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 3-(1H-benzimidazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)propan-1-one?
3-(1H-benzimidazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)propan-1-one has a molecular weight of 321.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)propan-1-one is sourced from PubChem (CID 154803317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).