8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]-3-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyrazine

C29H35N5 — CID 167647671

IUPAC8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]-3-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyrazine
SMILESCc1cccc(-c2ncc(CCc3nccn4c(C5CCN(C(C)C)CC5)cnc34)cc2C)c1
InChIInChI=1S/C29H35N5/c1-20(2)33-13-10-24(11-14-33)27-19-32-29-26(30-12-15-34(27)29)9-8-23-17-22(4)28(31-18-23)25-7-5-6-21(3)16-25/h5-7,12,15-20,24H,8-11,13-14H2,1-4H3
InChIKeyBMDXCICDUJRJPD-UHFFFAOYSA-N
MW453.63 g/mol
LogP5.78
Rot. Bonds6

About 8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]-3-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyrazine

8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]-3-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyrazine (PubChem CID 167647671) has the molecular formula C29H35N5 and a molecular weight of 453.63 g/mol. Its IUPAC name is 8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]-3-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]-3-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyrazine
PubChem CID167647671
Molecular FormulaC29H35N5
Molecular Weight453.63 g/mol
Exact Mass453.29
IUPAC Name8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]-3-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyrazine
SMILESCc1cccc(-c2ncc(CCc3nccn4c(C5CCN(C(C)C)CC5)cnc34)cc2C)c1
InChIInChI=1S/C29H35N5/c1-20(2)33-13-10-24(11-14-33)27-19-32-29-26(30-12-15-34(27)29)9-8-23-17-22(4)28(31-18-23)25-7-5-6-21(3)16-25/h5-7,12,15-20,24H,8-11,13-14H2,1-4H3
InChIKeyBMDXCICDUJRJPD-UHFFFAOYSA-N
XLogP5.78
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.63
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]-3-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyrazine?
The IUPAC name of 8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]-3-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyrazine (CID 167647671) is 8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]-3-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]-3-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]-3-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyrazine is Cc1cccc(-c2ncc(CCc3nccn4c(C5CCN(C(C)C)CC5)cnc34)cc2C)c1.
What is the InChIKey of 8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]-3-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyrazine?
The InChIKey is BMDXCICDUJRJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5/c1-20(2)33-13-10-24(11-14-33)27-19-32-29-26(30-12-15-34(27)29)9-8-23-17-22(4)28(31-18-23)25-7-5-6-21(3)16-25/h5-7,12,15-20,24H,8-11,13-14H2,1-4H3.
What are the key properties of 8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]-3-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyrazine?
8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]-3-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyrazine has a molecular weight of 453.63 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]-3-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 167647671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).