5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]pyrazine-2,3-diamine

C16H17BrN8 — CID 147770609

IUPAC5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]pyrazine-2,3-diamine
SMILESC/N=C/C(=CN)c1cnc(N)c(NCc2ccc3ncc(Br)n3c2)n1
InChIInChI=1S/C16H17BrN8/c1-20-6-11(4-18)12-7-22-15(19)16(24-12)23-5-10-2-3-14-21-8-13(17)25(14)9-10/h2-4,6-9H,5,18H2,1H3,(H2,19,22)(H,23,24)/b11-4?,20-6+
InChIKeyBPLCPNRWCYJYPJ-ULSCXHAUSA-N
MW401.27 g/mol
LogP2.08
Rot. Bonds5

About 5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]pyrazine-2,3-diamine

5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]pyrazine-2,3-diamine (PubChem CID 147770609) has the molecular formula C16H17BrN8 and a molecular weight of 401.27 g/mol. Its IUPAC name is 5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]pyrazine-2,3-diamine
PubChem CID147770609
Molecular FormulaC16H17BrN8
Molecular Weight401.27 g/mol
Exact Mass400.08
IUPAC Name5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]pyrazine-2,3-diamine
SMILESC/N=C/C(=CN)c1cnc(N)c(NCc2ccc3ncc(Br)n3c2)n1
InChIInChI=1S/C16H17BrN8/c1-20-6-11(4-18)12-7-22-15(19)16(24-12)23-5-10-2-3-14-21-8-13(17)25(14)9-10/h2-4,6-9H,5,18H2,1H3,(H2,19,22)(H,23,24)/b11-4?,20-6+
InChIKeyBPLCPNRWCYJYPJ-ULSCXHAUSA-N
XLogP2.08
TPSA119.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.27
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]pyrazine-2,3-diamine?
The IUPAC name of 5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]pyrazine-2,3-diamine (CID 147770609) is 5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]pyrazine-2,3-diamine.
What is the SMILES notation for 5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]pyrazine-2,3-diamine?
The canonical SMILES for 5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]pyrazine-2,3-diamine is C/N=C/C(=CN)c1cnc(N)c(NCc2ccc3ncc(Br)n3c2)n1.
What is the InChIKey of 5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]pyrazine-2,3-diamine?
The InChIKey is BPLCPNRWCYJYPJ-ULSCXHAUSA-N. The full InChI is InChI=1S/C16H17BrN8/c1-20-6-11(4-18)12-7-22-15(19)16(24-12)23-5-10-2-3-14-21-8-13(17)25(14)9-10/h2-4,6-9H,5,18H2,1H3,(H2,19,22)(H,23,24)/b11-4?,20-6+.
What are the key properties of 5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]pyrazine-2,3-diamine?
5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]pyrazine-2,3-diamine has a molecular weight of 401.27 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]pyrazine-2,3-diamine is sourced from PubChem (CID 147770609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).