(Z)-4,5-diamino-1-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pent-4-en-1-one

C22H31N5O2 — CID 142877969

IUPAC(Z)-4,5-diamino-1-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pent-4-en-1-one
SMILESCCCCC1c2nc(-c3ccccc3OC)cn2CCN1C(=O)CC/C(N)=C/N
InChIInChI=1S/C22H31N5O2/c1-3-4-8-19-22-25-18(17-7-5-6-9-20(17)29-2)15-26(22)12-13-27(19)21(28)11-10-16(24)14-23/h5-7,9,14-15,19H,3-4,8,10-13,23-24H2,1-2H3/b16-14-
InChIKeyCNUZTZWWJNMSON-PEZBUJJGSA-N
MW397.52 g/mol
LogP3.17
Rot. Bonds8

About (Z)-4,5-diamino-1-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pent-4-en-1-one

(Z)-4,5-diamino-1-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pent-4-en-1-one (PubChem CID 142877969) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is (Z)-4,5-diamino-1-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pent-4-en-1-one.

Molecular Properties

Compound Name(Z)-4,5-diamino-1-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pent-4-en-1-one
PubChem CID142877969
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name(Z)-4,5-diamino-1-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pent-4-en-1-one
SMILESCCCCC1c2nc(-c3ccccc3OC)cn2CCN1C(=O)CC/C(N)=C/N
InChIInChI=1S/C22H31N5O2/c1-3-4-8-19-22-25-18(17-7-5-6-9-20(17)29-2)15-26(22)12-13-27(19)21(28)11-10-16(24)14-23/h5-7,9,14-15,19H,3-4,8,10-13,23-24H2,1-2H3/b16-14-
InChIKeyCNUZTZWWJNMSON-PEZBUJJGSA-N
XLogP3.17
TPSA99.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (Z)-4,5-diamino-1-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pent-4-en-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-4,5-diamino-1-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pent-4-en-1-one?
The IUPAC name of (Z)-4,5-diamino-1-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pent-4-en-1-one (CID 142877969) is (Z)-4,5-diamino-1-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pent-4-en-1-one.
What is the SMILES notation for (Z)-4,5-diamino-1-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pent-4-en-1-one?
The canonical SMILES for (Z)-4,5-diamino-1-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pent-4-en-1-one is CCCCC1c2nc(-c3ccccc3OC)cn2CCN1C(=O)CC/C(N)=C/N.
What is the InChIKey of (Z)-4,5-diamino-1-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pent-4-en-1-one?
The InChIKey is CNUZTZWWJNMSON-PEZBUJJGSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-3-4-8-19-22-25-18(17-7-5-6-9-20(17)29-2)15-26(22)12-13-27(19)21(28)11-10-16(24)14-23/h5-7,9,14-15,19H,3-4,8,10-13,23-24H2,1-2H3/b16-14-.
What are the key properties of (Z)-4,5-diamino-1-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pent-4-en-1-one?
(Z)-4,5-diamino-1-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pent-4-en-1-one has a molecular weight of 397.52 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,5-diamino-1-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pent-4-en-1-one is sourced from PubChem (CID 142877969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).