[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone

C22H20N6O — CID 110110907

IUPAC[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone
SMILESO=C(c1cnc2ccccc2c1)N1CCC(c2nccnc2-c2ncc[nH]2)CC1
InChIInChI=1S/C22H20N6O/c29-22(17-13-16-3-1-2-4-18(16)27-14-17)28-11-5-15(6-12-28)19-20(24-8-7-23-19)21-25-9-10-26-21/h1-4,7-10,13-15H,5-6,11-12H2,(H,25,26)
InChIKeyKMAQAKQRWVEIPD-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.43
Rot. Bonds3

About [4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone

[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone (PubChem CID 110110907) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is [4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone.

Molecular Properties

Compound Name[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone
PubChem CID110110907
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone
SMILESO=C(c1cnc2ccccc2c1)N1CCC(c2nccnc2-c2ncc[nH]2)CC1
InChIInChI=1S/C22H20N6O/c29-22(17-13-16-3-1-2-4-18(16)27-14-17)28-11-5-15(6-12-28)19-20(24-8-7-23-19)21-25-9-10-26-21/h1-4,7-10,13-15H,5-6,11-12H2,(H,25,26)
InChIKeyKMAQAKQRWVEIPD-UHFFFAOYSA-N
XLogP3.43
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110110080
[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 125022364
(4S)-3,3-dimethyl-4-[1-(quinoline-3-carbonyl)piperidin-4-yl]azetidin-2-one
CID 129488364
[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-[(3R)-3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 125022986
6-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1H-indole
CID 110110865
[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-quinolin-3-ylmethanone
CID 125018611
(4aS,8aS)-6-(quinoline-3-carbonyl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 110147216
2-(1H-imidazol-2-yl)-3-piperidin-4-ylpyrazine
CID 110099974
[(3R)-3-[6-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 125023182
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 44565605
[2-(1H-imidazol-2-yl)-4-pyridinyl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone
CID 154858565
[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 110131923

Frequently Asked Questions

What is the IUPAC name of [4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone?
The IUPAC name of [4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone (CID 110110907) is [4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone.
What is the SMILES notation for [4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone?
The canonical SMILES for [4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone is O=C(c1cnc2ccccc2c1)N1CCC(c2nccnc2-c2ncc[nH]2)CC1.
What is the InChIKey of [4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone?
The InChIKey is KMAQAKQRWVEIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c29-22(17-13-16-3-1-2-4-18(16)27-14-17)28-11-5-15(6-12-28)19-20(24-8-7-23-19)21-25-9-10-26-21/h1-4,7-10,13-15H,5-6,11-12H2,(H,25,26).
What are the key properties of [4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone?
[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone has a molecular weight of 384.44 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone is sourced from PubChem (CID 110110907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).