4-(azetidine-1-carbonyl)-1-methyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide;4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid

C28H33N9O5 — CID 159743631

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide;4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
SMILESCc1cccn2cc(CCNC(=O)c3c(C(=O)N4CCC4)cnn3C)nc12.Cn1ncc(C(=O)N2CCC2)c1C(=O)O
InChIInChI=1S/C19H22N6O2.C9H11N3O3/c1-13-5-3-8-25-12-14(22-17(13)25)6-7-20-18(26)16-15(11-21-23(16)2)19(27)24-9-4-10-24;1-11-7(9(14)15)6(5-10-11)8(13)12-3-2-4-12/h3,5,8,11-12H,4,6-7,9-10H2,1-2H3,(H,20,26);5H,2-4H2,1H3,(H,14,15)
InChIKeyNCTUJGBAFBLUOI-UHFFFAOYSA-N
MW575.63 g/mol
LogP1.16
Rot. Bonds7

About 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide;4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid

4-(azetidine-1-carbonyl)-1-methyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide;4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid (PubChem CID 159743631) has the molecular formula C28H33N9O5 and a molecular weight of 575.63 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide;4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide;4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
PubChem CID159743631
Molecular FormulaC28H33N9O5
Molecular Weight575.63 g/mol
Exact Mass575.26
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide;4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
SMILESCc1cccn2cc(CCNC(=O)c3c(C(=O)N4CCC4)cnn3C)nc12.Cn1ncc(C(=O)N2CCC2)c1C(=O)O
InChIInChI=1S/C19H22N6O2.C9H11N3O3/c1-13-5-3-8-25-12-14(22-17(13)25)6-7-20-18(26)16-15(11-21-23(16)2)19(27)24-9-4-10-24;1-11-7(9(14)15)6(5-10-11)8(13)12-3-2-4-12/h3,5,8,11-12H,4,6-7,9-10H2,1-2H3,(H,20,26);5H,2-4H2,1H3,(H,14,15)
InChIKeyNCTUJGBAFBLUOI-UHFFFAOYSA-N
XLogP1.16
TPSA159.96 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.63
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide;4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid with MolForge

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Related Compounds

4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 71288606
4-(azetidine-1-carbonyl)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288556
N',3-dimethyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 102559379
8-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 123237754
1-methyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]pyrazole-4-sulfonamide
CID 71982158
4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid;2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine
CID 71295551
4-hydroxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzamide
CID 75504945
2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111834882
4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-5-carboxamide
CID 165415447
[4-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 36636036
4-[4-[(2,3-difluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazole-5-carboxylic acid
CID 19496196
(2R)-2-amino-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]propanamide
CID 119882775

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide;4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide;4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid (CID 159743631) is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide;4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide;4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide;4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid is Cc1cccn2cc(CCNC(=O)c3c(C(=O)N4CCC4)cnn3C)nc12.Cn1ncc(C(=O)N2CCC2)c1C(=O)O.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide;4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is NCTUJGBAFBLUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2.C9H11N3O3/c1-13-5-3-8-25-12-14(22-17(13)25)6-7-20-18(26)16-15(11-21-23(16)2)19(27)24-9-4-10-24;1-11-7(9(14)15)6(5-10-11)8(13)12-3-2-4-12/h3,5,8,11-12H,4,6-7,9-10H2,1-2H3,(H,20,26);5H,2-4H2,1H3,(H,14,15).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide;4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid?
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide;4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 575.63 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide;4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 159743631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).