N'-[(E)-[3-(6-amino-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonyl)cyclopentylidene]methyl]methanimidamide

C19H23ClN6O3 — CID 170360645

IUPACN'-[(E)-[3-(6-amino-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonyl)cyclopentylidene]methyl]methanimidamide
SMILESN/C=N/C=C1\CCC(C(=O)N2CCC3(CC2)NC(=O)c2c(Cl)cc(N)c(=O)n23)C1
InChIInChI=1S/C19H23ClN6O3/c20-13-8-14(22)18(29)26-15(13)16(27)24-19(26)3-5-25(6-4-19)17(28)12-2-1-11(7-12)9-23-10-21/h8-10,12H,1-7,22H2,(H2,21,23)(H,24,27)/b11-9+
InChIKeyJUZDZSIPLMRUFE-PKNBQFBNSA-N
MW418.89 g/mol
LogP0.77
Rot. Bonds2

About N'-[(E)-[3-(6-amino-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonyl)cyclopentylidene]methyl]methanimidamide

N'-[(E)-[3-(6-amino-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonyl)cyclopentylidene]methyl]methanimidamide (PubChem CID 170360645) has the molecular formula C19H23ClN6O3 and a molecular weight of 418.89 g/mol. Its IUPAC name is N'-[(E)-[3-(6-amino-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonyl)cyclopentylidene]methyl]methanimidamide.

Molecular Properties

Compound NameN'-[(E)-[3-(6-amino-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonyl)cyclopentylidene]methyl]methanimidamide
PubChem CID170360645
Molecular FormulaC19H23ClN6O3
Molecular Weight418.89 g/mol
Exact Mass418.15
IUPAC NameN'-[(E)-[3-(6-amino-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonyl)cyclopentylidene]methyl]methanimidamide
SMILESN/C=N/C=C1\CCC(C(=O)N2CCC3(CC2)NC(=O)c2c(Cl)cc(N)c(=O)n23)C1
InChIInChI=1S/C19H23ClN6O3/c20-13-8-14(22)18(29)26-15(13)16(27)24-19(26)3-5-25(6-4-19)17(28)12-2-1-11(7-12)9-23-10-21/h8-10,12H,1-7,22H2,(H2,21,23)(H,24,27)/b11-9+
InChIKeyJUZDZSIPLMRUFE-PKNBQFBNSA-N
XLogP0.77
TPSA135.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.89
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4',6-diamino-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 130444092
1'-acetyl-8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598994
6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 118598724
N-[6-[(8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118598627
(7S)-4-[(8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]-N,N-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 135240219
N-[2-[(8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]-4-pyridinyl]cyclopropanecarboxamide
CID 178180701
6-bromo-8-chloro-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione;ethane
CID 144985857
6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride
CID 118598654
6-[[(7S)-7-[3-(dimethylamino)azetidine-1-carbonyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]-4',4'-difluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 142402838
6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
CID 91631766
6-[(6-amino-5-fluoropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride
CID 118598694
6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;bis(8-chloro-1'-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);pyrimidin-4-amine
CID 159863204

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-[3-(6-amino-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonyl)cyclopentylidene]methyl]methanimidamide?
The IUPAC name of N'-[(E)-[3-(6-amino-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonyl)cyclopentylidene]methyl]methanimidamide (CID 170360645) is N'-[(E)-[3-(6-amino-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonyl)cyclopentylidene]methyl]methanimidamide.
What is the SMILES notation for N'-[(E)-[3-(6-amino-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonyl)cyclopentylidene]methyl]methanimidamide?
The canonical SMILES for N'-[(E)-[3-(6-amino-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonyl)cyclopentylidene]methyl]methanimidamide is N/C=N/C=C1\CCC(C(=O)N2CCC3(CC2)NC(=O)c2c(Cl)cc(N)c(=O)n23)C1.
What is the InChIKey of N'-[(E)-[3-(6-amino-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonyl)cyclopentylidene]methyl]methanimidamide?
The InChIKey is JUZDZSIPLMRUFE-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H23ClN6O3/c20-13-8-14(22)18(29)26-15(13)16(27)24-19(26)3-5-25(6-4-19)17(28)12-2-1-11(7-12)9-23-10-21/h8-10,12H,1-7,22H2,(H2,21,23)(H,24,27)/b11-9+.
What are the key properties of N'-[(E)-[3-(6-amino-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonyl)cyclopentylidene]methyl]methanimidamide?
N'-[(E)-[3-(6-amino-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonyl)cyclopentylidene]methyl]methanimidamide has a molecular weight of 418.89 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-[3-(6-amino-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonyl)cyclopentylidene]methyl]methanimidamide is sourced from PubChem (CID 170360645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).