N-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrrole-2-carboxamide;hydrochloride

C19H27Cl2N5O — CID 128992326

IUPACN-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCCn1ccnc1CN(C(=O)c1cc(Cl)cn1C)C1CC12CCNCC2.Cl
InChIInChI=1S/C19H26ClN5O.ClH/c1-3-24-9-8-22-17(24)13-25(16-11-19(16)4-6-21-7-5-19)18(26)15-10-14(20)12-23(15)2;/h8-10,12,16,21H,3-7,11,13H2,1-2H3;1H
InChIKeyILXQMLLBQULRHY-UHFFFAOYSA-N
MW412.37 g/mol
LogP3.10
Rot. Bonds5

About N-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrrole-2-carboxamide;hydrochloride

N-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrrole-2-carboxamide;hydrochloride (PubChem CID 128992326) has the molecular formula C19H27Cl2N5O and a molecular weight of 412.37 g/mol. Its IUPAC name is N-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrrole-2-carboxamide;hydrochloride
PubChem CID128992326
Molecular FormulaC19H27Cl2N5O
Molecular Weight412.37 g/mol
Exact Mass411.16
IUPAC NameN-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCCn1ccnc1CN(C(=O)c1cc(Cl)cn1C)C1CC12CCNCC2.Cl
InChIInChI=1S/C19H26ClN5O.ClH/c1-3-24-9-8-22-17(24)13-25(16-11-19(16)4-6-21-7-5-19)18(26)15-10-14(20)12-23(15)2;/h8-10,12,16,21H,3-7,11,13H2,1-2H3;1H
InChIKeyILXQMLLBQULRHY-UHFFFAOYSA-N
XLogP3.10
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-6-azaspiro[2.5]octan-2-yl]-1-ethyl-N-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-carboxamide
CID 129465717
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-1-ethyl-N-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-carboxamide
CID 129465718
N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylfuran-2-carboxamide
CID 128993076
N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide;hydrochloride
CID 128967676
(2S,5R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-ethyl-N-[(1-ethylimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 129465887
N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 128967677
(3R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 129341004
methyl 4-[6-azaspiro[2.5]octan-2-yl-[(1-ethylimidazol-2-yl)methyl]amino]-2,2-dimethylbutanoate;hydrochloride
CID 120845299
N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
CID 167951472
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 129475917
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 129466442
N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-fluorophenyl)propyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120845305

Frequently Asked Questions

What is the IUPAC name of N-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrrole-2-carboxamide;hydrochloride (CID 128992326) is N-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrrole-2-carboxamide;hydrochloride is CCn1ccnc1CN(C(=O)c1cc(Cl)cn1C)C1CC12CCNCC2.Cl.
What is the InChIKey of N-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrrole-2-carboxamide;hydrochloride?
The InChIKey is ILXQMLLBQULRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5O.ClH/c1-3-24-9-8-22-17(24)13-25(16-11-19(16)4-6-21-7-5-19)18(26)15-10-14(20)12-23(15)2;/h8-10,12,16,21H,3-7,11,13H2,1-2H3;1H.
What are the key properties of N-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrrole-2-carboxamide;hydrochloride?
N-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrrole-2-carboxamide;hydrochloride has a molecular weight of 412.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 128992326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).