2-[(Z)-2-amino-1-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]ethenyl]guanidine

C18H23N9O2 — CID 165132125

IUPAC2-[(Z)-2-amino-1-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]ethenyl]guanidine
SMILESCN1C(=O)CN(c2cc(C3CC3)cn3cc(CN/C(=C/N)N=C(N)N)nc23)C1=O
InChIInChI=1S/C18H23N9O2/c1-25-15(28)9-27(18(25)29)13-4-11(10-2-3-10)7-26-8-12(23-16(13)26)6-22-14(5-19)24-17(20)21/h4-5,7-8,10,22H,2-3,6,9,19H2,1H3,(H4,20,21,24)/b14-5-
InChIKeyUHFLLXIBGSYSGZ-RZNTYIFUSA-N
MW397.44 g/mol
LogP-0.27
Rot. Bonds6

About 2-[(Z)-2-amino-1-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]ethenyl]guanidine

2-[(Z)-2-amino-1-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]ethenyl]guanidine (PubChem CID 165132125) has the molecular formula C18H23N9O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-[(Z)-2-amino-1-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]ethenyl]guanidine.

Molecular Properties

Compound Name2-[(Z)-2-amino-1-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]ethenyl]guanidine
PubChem CID165132125
Molecular FormulaC18H23N9O2
Molecular Weight397.44 g/mol
Exact Mass397.20
IUPAC Name2-[(Z)-2-amino-1-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]ethenyl]guanidine
SMILESCN1C(=O)CN(c2cc(C3CC3)cn3cc(CN/C(=C/N)N=C(N)N)nc23)C1=O
InChIInChI=1S/C18H23N9O2/c1-25-15(28)9-27(18(25)29)13-4-11(10-2-3-10)7-26-8-12(23-16(13)26)6-22-14(5-19)24-17(20)21/h4-5,7-8,10,22H,2-3,6,9,19H2,1H3,(H4,20,21,24)/b14-5-
InChIKeyUHFLLXIBGSYSGZ-RZNTYIFUSA-N
XLogP-0.27
TPSA160.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-amino-1-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]ethenyl]guanidine?
The IUPAC name of 2-[(Z)-2-amino-1-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]ethenyl]guanidine (CID 165132125) is 2-[(Z)-2-amino-1-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]ethenyl]guanidine.
What is the SMILES notation for 2-[(Z)-2-amino-1-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]ethenyl]guanidine?
The canonical SMILES for 2-[(Z)-2-amino-1-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]ethenyl]guanidine is CN1C(=O)CN(c2cc(C3CC3)cn3cc(CN/C(=C/N)N=C(N)N)nc23)C1=O.
What is the InChIKey of 2-[(Z)-2-amino-1-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]ethenyl]guanidine?
The InChIKey is UHFLLXIBGSYSGZ-RZNTYIFUSA-N. The full InChI is InChI=1S/C18H23N9O2/c1-25-15(28)9-27(18(25)29)13-4-11(10-2-3-10)7-26-8-12(23-16(13)26)6-22-14(5-19)24-17(20)21/h4-5,7-8,10,22H,2-3,6,9,19H2,1H3,(H4,20,21,24)/b14-5-.
What are the key properties of 2-[(Z)-2-amino-1-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]ethenyl]guanidine?
2-[(Z)-2-amino-1-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]ethenyl]guanidine has a molecular weight of 397.44 g/mol, XLogP of -0.27, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-amino-1-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]ethenyl]guanidine is sourced from PubChem (CID 165132125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).