1-[4-[8-[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazin-3-yl]piperidin-1-yl]ethanone

C27H30N6O — CID 167546877

IUPAC1-[4-[8-[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazin-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cnc3c(CCc4cnc(-c5ccnc(C)c5)c(C)c4)nccn23)CC1
InChIInChI=1S/C27H30N6O/c1-18-14-21(16-30-26(18)23-6-9-28-19(2)15-23)4-5-24-27-31-17-25(33(27)13-10-29-24)22-7-11-32(12-8-22)20(3)34/h6,9-10,13-17,22H,4-5,7-8,11-12H2,1-3H3
InChIKeyBXEHCXDDHSKTDU-UHFFFAOYSA-N
MW454.58 g/mol
LogP4.31
Rot. Bonds5

About 1-[4-[8-[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazin-3-yl]piperidin-1-yl]ethanone

1-[4-[8-[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazin-3-yl]piperidin-1-yl]ethanone (PubChem CID 167546877) has the molecular formula C27H30N6O and a molecular weight of 454.58 g/mol. Its IUPAC name is 1-[4-[8-[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazin-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[8-[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazin-3-yl]piperidin-1-yl]ethanone
PubChem CID167546877
Molecular FormulaC27H30N6O
Molecular Weight454.58 g/mol
Exact Mass454.25
IUPAC Name1-[4-[8-[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazin-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cnc3c(CCc4cnc(-c5ccnc(C)c5)c(C)c4)nccn23)CC1
InChIInChI=1S/C27H30N6O/c1-18-14-21(16-30-26(18)23-6-9-28-19(2)15-23)4-5-24-27-31-17-25(33(27)13-10-29-24)22-7-11-32(12-8-22)20(3)34/h6,9-10,13-17,22H,4-5,7-8,11-12H2,1-3H3
InChIKeyBXEHCXDDHSKTDU-UHFFFAOYSA-N
XLogP4.31
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[8-[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazin-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[8-[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazin-3-yl]piperidin-1-yl]ethanone (CID 167546877) is 1-[4-[8-[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazin-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[8-[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazin-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[8-[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazin-3-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cnc3c(CCc4cnc(-c5ccnc(C)c5)c(C)c4)nccn23)CC1.
What is the InChIKey of 1-[4-[8-[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazin-3-yl]piperidin-1-yl]ethanone?
The InChIKey is BXEHCXDDHSKTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O/c1-18-14-21(16-30-26(18)23-6-9-28-19(2)15-23)4-5-24-27-31-17-25(33(27)13-10-29-24)22-7-11-32(12-8-22)20(3)34/h6,9-10,13-17,22H,4-5,7-8,11-12H2,1-3H3.
What are the key properties of 1-[4-[8-[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazin-3-yl]piperidin-1-yl]ethanone?
1-[4-[8-[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazin-3-yl]piperidin-1-yl]ethanone has a molecular weight of 454.58 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[8-[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazin-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 167546877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).