[5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-[[(1S)-1-[3-(methoxymethyl)imidazo[1,2-a]pyridin-6-yl]ethyl]amino]pyrazin-2-yl]iminoazanium

C19H24N9O+ — CID 154469576

IUPAC[5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-[[(1S)-1-[3-(methoxymethyl)imidazo[1,2-a]pyridin-6-yl]ethyl]amino]pyrazin-2-yl]iminoazanium
SMILESC/N=C/C(=CN)c1cnc(N=[NH2+])c(N[C@@H](C)c2ccc3ncc(COC)n3c2)n1
InChIInChI=1S/C19H23N9O/c1-12(13-4-5-17-23-8-15(11-29-3)28(17)10-13)25-19-18(27-21)24-9-16(26-19)14(6-20)7-22-2/h4-10,12,21H,11,20H2,1-3H3,(H,25,26)/p+1/b14-6?,22-7+,27-21?/t12-/m0/s1
InChIKeyYNVHGKWZHIJRAN-JBDZJQLXSA-O
MW394.46 g/mol
LogP1.29
Rot. Bonds8

About [5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-[[(1S)-1-[3-(methoxymethyl)imidazo[1,2-a]pyridin-6-yl]ethyl]amino]pyrazin-2-yl]iminoazanium

[5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-[[(1S)-1-[3-(methoxymethyl)imidazo[1,2-a]pyridin-6-yl]ethyl]amino]pyrazin-2-yl]iminoazanium (PubChem CID 154469576) has the molecular formula C19H24N9O+ and a molecular weight of 394.46 g/mol. Its IUPAC name is [5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-[[(1S)-1-[3-(methoxymethyl)imidazo[1,2-a]pyridin-6-yl]ethyl]amino]pyrazin-2-yl]iminoazanium.

Molecular Properties

Compound Name[5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-[[(1S)-1-[3-(methoxymethyl)imidazo[1,2-a]pyridin-6-yl]ethyl]amino]pyrazin-2-yl]iminoazanium
PubChem CID154469576
Molecular FormulaC19H24N9O+
Molecular Weight394.46 g/mol
Exact Mass394.21
IUPAC Name[5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-[[(1S)-1-[3-(methoxymethyl)imidazo[1,2-a]pyridin-6-yl]ethyl]amino]pyrazin-2-yl]iminoazanium
SMILESC/N=C/C(=CN)c1cnc(N=[NH2+])c(N[C@@H](C)c2ccc3ncc(COC)n3c2)n1
InChIInChI=1S/C19H23N9O/c1-12(13-4-5-17-23-8-15(11-29-3)28(17)10-13)25-19-18(27-21)24-9-16(26-19)14(6-20)7-22-2/h4-10,12,21H,11,20H2,1-3H3,(H,25,26)/p+1/b14-6?,22-7+,27-21?/t12-/m0/s1
InChIKeyYNVHGKWZHIJRAN-JBDZJQLXSA-O
XLogP1.29
TPSA140.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-[[(1S)-1-[3-(methoxymethyl)imidazo[1,2-a]pyridin-6-yl]ethyl]amino]pyrazin-2-yl]iminoazanium 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 [5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-[[(1S)-1-[3-(methoxymethyl)imidazo[1,2-a]pyridin-6-yl]ethyl]amino]pyrazin-2-yl]iminoazanium?
The IUPAC name of [5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-[[(1S)-1-[3-(methoxymethyl)imidazo[1,2-a]pyridin-6-yl]ethyl]amino]pyrazin-2-yl]iminoazanium (CID 154469576) is [5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-[[(1S)-1-[3-(methoxymethyl)imidazo[1,2-a]pyridin-6-yl]ethyl]amino]pyrazin-2-yl]iminoazanium.
What is the SMILES notation for [5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-[[(1S)-1-[3-(methoxymethyl)imidazo[1,2-a]pyridin-6-yl]ethyl]amino]pyrazin-2-yl]iminoazanium?
The canonical SMILES for [5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-[[(1S)-1-[3-(methoxymethyl)imidazo[1,2-a]pyridin-6-yl]ethyl]amino]pyrazin-2-yl]iminoazanium is C/N=C/C(=CN)c1cnc(N=[NH2+])c(N[C@@H](C)c2ccc3ncc(COC)n3c2)n1.
What is the InChIKey of [5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-[[(1S)-1-[3-(methoxymethyl)imidazo[1,2-a]pyridin-6-yl]ethyl]amino]pyrazin-2-yl]iminoazanium?
The InChIKey is YNVHGKWZHIJRAN-JBDZJQLXSA-O. The full InChI is InChI=1S/C19H23N9O/c1-12(13-4-5-17-23-8-15(11-29-3)28(17)10-13)25-19-18(27-21)24-9-16(26-19)14(6-20)7-22-2/h4-10,12,21H,11,20H2,1-3H3,(H,25,26)/p+1/b14-6?,22-7+,27-21?/t12-/m0/s1.
What are the key properties of [5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-[[(1S)-1-[3-(methoxymethyl)imidazo[1,2-a]pyridin-6-yl]ethyl]amino]pyrazin-2-yl]iminoazanium?
[5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-[[(1S)-1-[3-(methoxymethyl)imidazo[1,2-a]pyridin-6-yl]ethyl]amino]pyrazin-2-yl]iminoazanium has a molecular weight of 394.46 g/mol, XLogP of 1.29, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-[[(1S)-1-[3-(methoxymethyl)imidazo[1,2-a]pyridin-6-yl]ethyl]amino]pyrazin-2-yl]iminoazanium is sourced from PubChem (CID 154469576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).