N-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-1-[2-(4-methylphenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carboxamide

C25H35N9O2 — CID 144691931

IUPACN-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-1-[2-(4-methylphenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carboxamide
SMILESCCCCCn1c(N2CCCC2C(=O)NC/C(N)=N/NN)cc(=O)n2cc(-c3ccc(C)cc3)nc12
InChIInChI=1S/C25H35N9O2/c1-3-4-5-12-33-22(32-13-6-7-20(32)24(36)28-15-21(26)30-31-27)14-23(35)34-16-19(29-25(33)34)18-10-8-17(2)9-11-18/h8-11,14,16,20,31H,3-7,12-13,15,27H2,1-2H3,(H2,26,30)(H,28,36)
InChIKeyRKSQTXKLPFQLSI-UHFFFAOYSA-N
MW493.62 g/mol
LogP1.48
Rot. Bonds10

About N-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-1-[2-(4-methylphenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carboxamide

N-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-1-[2-(4-methylphenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carboxamide (PubChem CID 144691931) has the molecular formula C25H35N9O2 and a molecular weight of 493.62 g/mol. Its IUPAC name is N-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-1-[2-(4-methylphenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-1-[2-(4-methylphenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carboxamide
PubChem CID144691931
Molecular FormulaC25H35N9O2
Molecular Weight493.62 g/mol
Exact Mass493.29
IUPAC NameN-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-1-[2-(4-methylphenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carboxamide
SMILESCCCCCn1c(N2CCCC2C(=O)NC/C(N)=N/NN)cc(=O)n2cc(-c3ccc(C)cc3)nc12
InChIInChI=1S/C25H35N9O2/c1-3-4-5-12-33-22(32-13-6-7-20(32)24(36)28-15-21(26)30-31-27)14-23(35)34-16-19(29-25(33)34)18-10-8-17(2)9-11-18/h8-11,14,16,20,31H,3-7,12-13,15,27H2,1-2H3,(H2,26,30)(H,28,36)
InChIKeyRKSQTXKLPFQLSI-UHFFFAOYSA-N
XLogP1.48
TPSA148.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.62
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-1-[2-(4-methylphenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-1-[2-(4-methylphenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carboxamide (CID 144691931) is N-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-1-[2-(4-methylphenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-1-[2-(4-methylphenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-1-[2-(4-methylphenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carboxamide is CCCCCn1c(N2CCCC2C(=O)NC/C(N)=N/NN)cc(=O)n2cc(-c3ccc(C)cc3)nc12.
What is the InChIKey of N-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-1-[2-(4-methylphenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carboxamide?
The InChIKey is RKSQTXKLPFQLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N9O2/c1-3-4-5-12-33-22(32-13-6-7-20(32)24(36)28-15-21(26)30-31-27)14-23(35)34-16-19(29-25(33)34)18-10-8-17(2)9-11-18/h8-11,14,16,20,31H,3-7,12-13,15,27H2,1-2H3,(H2,26,30)(H,28,36).
What are the key properties of N-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-1-[2-(4-methylphenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carboxamide?
N-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-1-[2-(4-methylphenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carboxamide has a molecular weight of 493.62 g/mol, XLogP of 1.48, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-1-[2-(4-methylphenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 144691931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).