N-(6-bromo-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-1H-pyrazole-5-carboxamide

C18H21BrN4O2 — CID 137386151

IUPACN-(6-bromo-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-1H-pyrazole-5-carboxamide
SMILESCN1CCC2(CC1)CC(NC(=O)c1ccn[nH]1)c1cc(Br)ccc1O2
InChIInChI=1S/C18H21BrN4O2/c1-23-8-5-18(6-9-23)11-15(21-17(24)14-4-7-20-22-14)13-10-12(19)2-3-16(13)25-18/h2-4,7,10,15H,5-6,8-9,11H2,1H3,(H,20,22)(H,21,24)
InChIKeySZRDBISFMIRYJP-UHFFFAOYSA-N
MW405.30 g/mol
LogP2.89
Rot. Bonds2

About N-(6-bromo-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-1H-pyrazole-5-carboxamide

N-(6-bromo-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 137386151) has the molecular formula C18H21BrN4O2 and a molecular weight of 405.30 g/mol. Its IUPAC name is N-(6-bromo-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID137386151
Molecular FormulaC18H21BrN4O2
Molecular Weight405.30 g/mol
Exact Mass404.08
IUPAC NameN-(6-bromo-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-1H-pyrazole-5-carboxamide
SMILESCN1CCC2(CC1)CC(NC(=O)c1ccn[nH]1)c1cc(Br)ccc1O2
InChIInChI=1S/C18H21BrN4O2/c1-23-8-5-18(6-9-23)11-15(21-17(24)14-4-7-20-22-14)13-10-12(19)2-3-16(13)25-18/h2-4,7,10,15H,5-6,8-9,11H2,1H3,(H,20,22)(H,21,24)
InChIKeySZRDBISFMIRYJP-UHFFFAOYSA-N
XLogP2.89
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-4-(1H-pyrazole-5-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid
CID 146585123
N-(6-bromo-1'-butanoylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-1H-indazole-7-carboxamide
CID 137386148
5-methyl-N-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]furan-2-carboxamide
CID 51546641
2-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-3-carboxamide
CID 155945168
6-bromo-N,1'-diethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114713417
ethyl 6-bromo-4-[(2-ethyl-1H-indole-7-carbonyl)amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 137386121
N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-5-nitro-1H-indazole-3-carboxamide
CID 112820329
2-(dimethylamino)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-4-carboxamide
CID 155948335
methyl (4S)-6-bromo-4-(1H-indazol-7-ylsulfinylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 147372178
1-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-5-phenylpyrazole-4-carboxamide
CID 155946672
2,5,7-trimethyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 112841011
4-chloro-N-[(2R,4R)-1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl]-1H-pyrazole-5-carboxamide
CID 51598875

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(6-bromo-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-1H-pyrazole-5-carboxamide (CID 137386151) is N-(6-bromo-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(6-bromo-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(6-bromo-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-1H-pyrazole-5-carboxamide is CN1CCC2(CC1)CC(NC(=O)c1ccn[nH]1)c1cc(Br)ccc1O2.
What is the InChIKey of N-(6-bromo-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is SZRDBISFMIRYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O2/c1-23-8-5-18(6-9-23)11-15(21-17(24)14-4-7-20-22-14)13-10-12(19)2-3-16(13)25-18/h2-4,7,10,15H,5-6,8-9,11H2,1H3,(H,20,22)(H,21,24).
What are the key properties of N-(6-bromo-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-1H-pyrazole-5-carboxamide?
N-(6-bromo-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 405.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 137386151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).