1-(4,5-dihydro-1H-indol-2-yl)-3-[1-[1-(1H-indol-6-yl)ethenyl]piperidin-4-yl]-8-methylimidazo[1,5-a]pyrazine;ethane

C36H48N6 — CID 143541386

IUPAC1-(4,5-dihydro-1H-indol-2-yl)-3-[1-[1-(1H-indol-6-yl)ethenyl]piperidin-4-yl]-8-methylimidazo[1,5-a]pyrazine;ethane
SMILESC=C(c1ccc2cc[nH]c2c1)N1CCC(c2nc(-c3cc4c([nH]3)C=CCC4)c3c(C)nccn23)CC1.CC.CC.CC
InChIInChI=1S/C30H30N6.3C2H6/c1-19-29-28(27-18-24-5-3-4-6-25(24)33-27)34-30(36(29)16-13-31-19)22-10-14-35(15-11-22)20(2)23-8-7-21-9-12-32-26(21)17-23;3*1-2/h4,6-9,12-13,16-18,22,32-33H,2-3,5,10-11,14-15H2,1H3;3*1-2H3
InChIKeySXDJDLRFFLCPCM-UHFFFAOYSA-N
MW564.82 g/mol
LogP9.40
Rot. Bonds4

About 1-(4,5-dihydro-1H-indol-2-yl)-3-[1-[1-(1H-indol-6-yl)ethenyl]piperidin-4-yl]-8-methylimidazo[1,5-a]pyrazine;ethane

1-(4,5-dihydro-1H-indol-2-yl)-3-[1-[1-(1H-indol-6-yl)ethenyl]piperidin-4-yl]-8-methylimidazo[1,5-a]pyrazine;ethane (PubChem CID 143541386) has the molecular formula C36H48N6 and a molecular weight of 564.82 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-indol-2-yl)-3-[1-[1-(1H-indol-6-yl)ethenyl]piperidin-4-yl]-8-methylimidazo[1,5-a]pyrazine;ethane.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-indol-2-yl)-3-[1-[1-(1H-indol-6-yl)ethenyl]piperidin-4-yl]-8-methylimidazo[1,5-a]pyrazine;ethane
PubChem CID143541386
Molecular FormulaC36H48N6
Molecular Weight564.82 g/mol
Exact Mass564.39
IUPAC Name1-(4,5-dihydro-1H-indol-2-yl)-3-[1-[1-(1H-indol-6-yl)ethenyl]piperidin-4-yl]-8-methylimidazo[1,5-a]pyrazine;ethane
SMILESC=C(c1ccc2cc[nH]c2c1)N1CCC(c2nc(-c3cc4c([nH]3)C=CCC4)c3c(C)nccn23)CC1.CC.CC.CC
InChIInChI=1S/C30H30N6.3C2H6/c1-19-29-28(27-18-24-5-3-4-6-25(24)33-27)34-30(36(29)16-13-31-19)22-10-14-35(15-11-22)20(2)23-8-7-21-9-12-32-26(21)17-23;3*1-2/h4,6-9,12-13,16-18,22,32-33H,2-3,5,10-11,14-15H2,1H3;3*1-2H3
InChIKeySXDJDLRFFLCPCM-UHFFFAOYSA-N
XLogP9.40
TPSA65.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.82
LogP ≤ 59.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4,5-dihydro-1H-indol-2-yl)-3-[1-[1-(1H-indol-6-yl)ethenyl]piperidin-4-yl]-8-methylimidazo[1,5-a]pyrazine;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-indol-2-yl)-3-[1-[1-(1H-indol-6-yl)ethenyl]piperidin-4-yl]-8-methylimidazo[1,5-a]pyrazine;ethane?
The IUPAC name of 1-(4,5-dihydro-1H-indol-2-yl)-3-[1-[1-(1H-indol-6-yl)ethenyl]piperidin-4-yl]-8-methylimidazo[1,5-a]pyrazine;ethane (CID 143541386) is 1-(4,5-dihydro-1H-indol-2-yl)-3-[1-[1-(1H-indol-6-yl)ethenyl]piperidin-4-yl]-8-methylimidazo[1,5-a]pyrazine;ethane.
What is the SMILES notation for 1-(4,5-dihydro-1H-indol-2-yl)-3-[1-[1-(1H-indol-6-yl)ethenyl]piperidin-4-yl]-8-methylimidazo[1,5-a]pyrazine;ethane?
The canonical SMILES for 1-(4,5-dihydro-1H-indol-2-yl)-3-[1-[1-(1H-indol-6-yl)ethenyl]piperidin-4-yl]-8-methylimidazo[1,5-a]pyrazine;ethane is C=C(c1ccc2cc[nH]c2c1)N1CCC(c2nc(-c3cc4c([nH]3)C=CCC4)c3c(C)nccn23)CC1.CC.CC.CC.
What is the InChIKey of 1-(4,5-dihydro-1H-indol-2-yl)-3-[1-[1-(1H-indol-6-yl)ethenyl]piperidin-4-yl]-8-methylimidazo[1,5-a]pyrazine;ethane?
The InChIKey is SXDJDLRFFLCPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6.3C2H6/c1-19-29-28(27-18-24-5-3-4-6-25(24)33-27)34-30(36(29)16-13-31-19)22-10-14-35(15-11-22)20(2)23-8-7-21-9-12-32-26(21)17-23;3*1-2/h4,6-9,12-13,16-18,22,32-33H,2-3,5,10-11,14-15H2,1H3;3*1-2H3.
What are the key properties of 1-(4,5-dihydro-1H-indol-2-yl)-3-[1-[1-(1H-indol-6-yl)ethenyl]piperidin-4-yl]-8-methylimidazo[1,5-a]pyrazine;ethane?
1-(4,5-dihydro-1H-indol-2-yl)-3-[1-[1-(1H-indol-6-yl)ethenyl]piperidin-4-yl]-8-methylimidazo[1,5-a]pyrazine;ethane has a molecular weight of 564.82 g/mol, XLogP of 9.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-indol-2-yl)-3-[1-[1-(1H-indol-6-yl)ethenyl]piperidin-4-yl]-8-methylimidazo[1,5-a]pyrazine;ethane is sourced from PubChem (CID 143541386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).