8-[6-amino-5-(2-amino-3-chloropyridine-4-carboximidoyl)pyrazin-2-yl]-3-[(Z)-2-aminoethenyl]-2,8-diazaspiro[4.5]dec-2-en-4-amine

C20H25ClN10 — CID 165393421

IUPAC8-[6-amino-5-(2-amino-3-chloropyridine-4-carboximidoyl)pyrazin-2-yl]-3-[(Z)-2-aminoethenyl]-2,8-diazaspiro[4.5]dec-2-en-4-amine
SMILES[H]/N=C(\c1ccnc(N)c1Cl)c1ncc(N2CCC3(CC2)CN=C(/C=C\N)C3N)nc1N
InChIInChI=1S/C20H25ClN10/c21-14-11(2-6-27-18(14)25)15(23)16-19(26)30-13(9-28-16)31-7-3-20(4-8-31)10-29-12(1-5-22)17(20)24/h1-2,5-6,9,17,23H,3-4,7-8,10,22,24H2,(H2,25,27)(H2,26,30)/b5-1-,23-15+
InChIKeyUDJLWJCSJPXFMU-XQRUIDQESA-N
MW440.94 g/mol
LogP0.95
Rot. Bonds4

About 8-[6-amino-5-(2-amino-3-chloropyridine-4-carboximidoyl)pyrazin-2-yl]-3-[(Z)-2-aminoethenyl]-2,8-diazaspiro[4.5]dec-2-en-4-amine

8-[6-amino-5-(2-amino-3-chloropyridine-4-carboximidoyl)pyrazin-2-yl]-3-[(Z)-2-aminoethenyl]-2,8-diazaspiro[4.5]dec-2-en-4-amine (PubChem CID 165393421) has the molecular formula C20H25ClN10 and a molecular weight of 440.94 g/mol. Its IUPAC name is 8-[6-amino-5-(2-amino-3-chloropyridine-4-carboximidoyl)pyrazin-2-yl]-3-[(Z)-2-aminoethenyl]-2,8-diazaspiro[4.5]dec-2-en-4-amine.

Molecular Properties

Compound Name8-[6-amino-5-(2-amino-3-chloropyridine-4-carboximidoyl)pyrazin-2-yl]-3-[(Z)-2-aminoethenyl]-2,8-diazaspiro[4.5]dec-2-en-4-amine
PubChem CID165393421
Molecular FormulaC20H25ClN10
Molecular Weight440.94 g/mol
Exact Mass440.20
IUPAC Name8-[6-amino-5-(2-amino-3-chloropyridine-4-carboximidoyl)pyrazin-2-yl]-3-[(Z)-2-aminoethenyl]-2,8-diazaspiro[4.5]dec-2-en-4-amine
SMILES[H]/N=C(\c1ccnc(N)c1Cl)c1ncc(N2CCC3(CC2)CN=C(/C=C\N)C3N)nc1N
InChIInChI=1S/C20H25ClN10/c21-14-11(2-6-27-18(14)25)15(23)16-19(26)30-13(9-28-16)31-7-3-20(4-8-31)10-29-12(1-5-22)17(20)24/h1-2,5-6,9,17,23H,3-4,7-8,10,22,24H2,(H2,25,27)(H2,26,30)/b5-1-,23-15+
InChIKeyUDJLWJCSJPXFMU-XQRUIDQESA-N
XLogP0.95
TPSA182.20 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.94
LogP ≤ 50.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 8-[6-amino-5-(2-amino-3-chloropyridine-4-carboximidoyl)pyrazin-2-yl]-3-[(Z)-2-aminoethenyl]-2,8-diazaspiro[4.5]dec-2-en-4-amine with MolForge

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Related Compounds

8-[6-amino-5-(3-chloro-2-methylbenzenecarboximidoyl)pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 166992551
3-(2-chloro-3-methylbenzenecarboximidoyl)-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine
CID 166992696
6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3-methylpyridine-4-carboximidoyl)pyrazin-2-amine
CID 166992583
6-(8-azaspiro[4.5]decan-8-yl)-3-(3,4-dichlorobenzenecarboximidoyl)pyrazin-2-amine
CID 166992677
6-(8-azaspiro[4.5]decan-8-yl)-3-(4-chloro-3-methoxybenzenecarboximidoyl)pyrazin-2-amine
CID 166992700
(3-chloro-2-methyl-4-pyridinyl) 3-amino-5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carboximidate
CID 146642179
8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123693552
(5S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 135337300
1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 142433883
(3S)-3-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-5-carboxamide
CID 142434126
(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-dimethylphosphorylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 135337862
[5-amino-6-[3-chloro-2-(methylamino)pyridine-4-carboximidoyl]-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methanol
CID 153359800

Frequently Asked Questions

What is the IUPAC name of 8-[6-amino-5-(2-amino-3-chloropyridine-4-carboximidoyl)pyrazin-2-yl]-3-[(Z)-2-aminoethenyl]-2,8-diazaspiro[4.5]dec-2-en-4-amine?
The IUPAC name of 8-[6-amino-5-(2-amino-3-chloropyridine-4-carboximidoyl)pyrazin-2-yl]-3-[(Z)-2-aminoethenyl]-2,8-diazaspiro[4.5]dec-2-en-4-amine (CID 165393421) is 8-[6-amino-5-(2-amino-3-chloropyridine-4-carboximidoyl)pyrazin-2-yl]-3-[(Z)-2-aminoethenyl]-2,8-diazaspiro[4.5]dec-2-en-4-amine.
What is the SMILES notation for 8-[6-amino-5-(2-amino-3-chloropyridine-4-carboximidoyl)pyrazin-2-yl]-3-[(Z)-2-aminoethenyl]-2,8-diazaspiro[4.5]dec-2-en-4-amine?
The canonical SMILES for 8-[6-amino-5-(2-amino-3-chloropyridine-4-carboximidoyl)pyrazin-2-yl]-3-[(Z)-2-aminoethenyl]-2,8-diazaspiro[4.5]dec-2-en-4-amine is [H]/N=C(\c1ccnc(N)c1Cl)c1ncc(N2CCC3(CC2)CN=C(/C=C\N)C3N)nc1N.
What is the InChIKey of 8-[6-amino-5-(2-amino-3-chloropyridine-4-carboximidoyl)pyrazin-2-yl]-3-[(Z)-2-aminoethenyl]-2,8-diazaspiro[4.5]dec-2-en-4-amine?
The InChIKey is UDJLWJCSJPXFMU-XQRUIDQESA-N. The full InChI is InChI=1S/C20H25ClN10/c21-14-11(2-6-27-18(14)25)15(23)16-19(26)30-13(9-28-16)31-7-3-20(4-8-31)10-29-12(1-5-22)17(20)24/h1-2,5-6,9,17,23H,3-4,7-8,10,22,24H2,(H2,25,27)(H2,26,30)/b5-1-,23-15+.
What are the key properties of 8-[6-amino-5-(2-amino-3-chloropyridine-4-carboximidoyl)pyrazin-2-yl]-3-[(Z)-2-aminoethenyl]-2,8-diazaspiro[4.5]dec-2-en-4-amine?
8-[6-amino-5-(2-amino-3-chloropyridine-4-carboximidoyl)pyrazin-2-yl]-3-[(Z)-2-aminoethenyl]-2,8-diazaspiro[4.5]dec-2-en-4-amine has a molecular weight of 440.94 g/mol, XLogP of 0.95, 4 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-amino-5-(2-amino-3-chloropyridine-4-carboximidoyl)pyrazin-2-yl]-3-[(Z)-2-aminoethenyl]-2,8-diazaspiro[4.5]dec-2-en-4-amine is sourced from PubChem (CID 165393421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).