(Z)-2-N-benzyl-4-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]but-1-ene-1,2-diamine

C28H37N5O — CID 142005822

IUPAC(Z)-2-N-benzyl-4-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]but-1-ene-1,2-diamine
SMILESCCC(C)[C@H]1c2nc(-c3ccccc3OC)cn2CCN1CC/C(=C/N)NCc1ccccc1
InChIInChI=1S/C28H37N5O/c1-4-21(2)27-28-31-25(24-12-8-9-13-26(24)34-3)20-33(28)17-16-32(27)15-14-23(18-29)30-19-22-10-6-5-7-11-22/h5-13,18,20-21,27,30H,4,14-17,19,29H2,1-3H3/b23-18-/t21?,27-/m0/s1
InChIKeyHCODRQUAPDNQQQ-SRIPTFNCSA-N
MW459.64 g/mol
LogP4.94
Rot. Bonds10

About (Z)-2-N-benzyl-4-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]but-1-ene-1,2-diamine

(Z)-2-N-benzyl-4-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]but-1-ene-1,2-diamine (PubChem CID 142005822) has the molecular formula C28H37N5O and a molecular weight of 459.64 g/mol. Its IUPAC name is (Z)-2-N-benzyl-4-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]but-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-2-N-benzyl-4-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]but-1-ene-1,2-diamine
PubChem CID142005822
Molecular FormulaC28H37N5O
Molecular Weight459.64 g/mol
Exact Mass459.30
IUPAC Name(Z)-2-N-benzyl-4-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]but-1-ene-1,2-diamine
SMILESCCC(C)[C@H]1c2nc(-c3ccccc3OC)cn2CCN1CC/C(=C/N)NCc1ccccc1
InChIInChI=1S/C28H37N5O/c1-4-21(2)27-28-31-25(24-12-8-9-13-26(24)34-3)20-33(28)17-16-32(27)15-14-23(18-29)30-19-22-10-6-5-7-11-22/h5-13,18,20-21,27,30H,4,14-17,19,29H2,1-3H3/b23-18-/t21?,27-/m0/s1
InChIKeyHCODRQUAPDNQQQ-SRIPTFNCSA-N
XLogP4.94
TPSA68.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.64
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (Z)-2-N-benzyl-4-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]but-1-ene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-N-benzyl-4-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]but-1-ene-1,2-diamine?
The IUPAC name of (Z)-2-N-benzyl-4-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]but-1-ene-1,2-diamine (CID 142005822) is (Z)-2-N-benzyl-4-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]but-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-2-N-benzyl-4-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]but-1-ene-1,2-diamine?
The canonical SMILES for (Z)-2-N-benzyl-4-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]but-1-ene-1,2-diamine is CCC(C)[C@H]1c2nc(-c3ccccc3OC)cn2CCN1CC/C(=C/N)NCc1ccccc1.
What is the InChIKey of (Z)-2-N-benzyl-4-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]but-1-ene-1,2-diamine?
The InChIKey is HCODRQUAPDNQQQ-SRIPTFNCSA-N. The full InChI is InChI=1S/C28H37N5O/c1-4-21(2)27-28-31-25(24-12-8-9-13-26(24)34-3)20-33(28)17-16-32(27)15-14-23(18-29)30-19-22-10-6-5-7-11-22/h5-13,18,20-21,27,30H,4,14-17,19,29H2,1-3H3/b23-18-/t21?,27-/m0/s1.
What are the key properties of (Z)-2-N-benzyl-4-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]but-1-ene-1,2-diamine?
(Z)-2-N-benzyl-4-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]but-1-ene-1,2-diamine has a molecular weight of 459.64 g/mol, XLogP of 4.94, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N-benzyl-4-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]but-1-ene-1,2-diamine is sourced from PubChem (CID 142005822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).