1-[(3R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide

C17H21N7O — CID 129332274

IUPAC1-[(3R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn([C@@H]2CCCN(Cc3cnc4ncccn34)C2)n1
InChIInChI=1S/C17H21N7O/c1-18-16(25)15-5-9-24(21-15)13-4-2-7-22(11-13)12-14-10-20-17-19-6-3-8-23(14)17/h3,5-6,8-10,13H,2,4,7,11-12H2,1H3,(H,18,25)/t13-/m1/s1
InChIKeyDCTSQIYAIJCSNV-CYBMUJFWSA-N
MW339.40 g/mol
LogP1.12
Rot. Bonds4

About 1-[(3R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide

1-[(3R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide (PubChem CID 129332274) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[(3R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
PubChem CID129332274
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name1-[(3R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn([C@@H]2CCCN(Cc3cnc4ncccn34)C2)n1
InChIInChI=1S/C17H21N7O/c1-18-16(25)15-5-9-24(21-15)13-4-2-7-22(11-13)12-14-10-20-17-19-6-3-8-23(14)17/h3,5-6,8-10,13H,2,4,7,11-12H2,1H3,(H,18,25)/t13-/m1/s1
InChIKeyDCTSQIYAIJCSNV-CYBMUJFWSA-N
XLogP1.12
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(3R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

1-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976151
N-methyl-1-[(3S)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 129475944
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976121
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976111
1-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 100626552
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 128976100
N-methyl-1-[(3S)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 129344407
N-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 127975200
N-methyl-1-[(3R)-1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 129477222
1-[(3S)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 137204395
1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976142
1-[(3S)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[(3R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide (CID 129332274) is 1-[(3R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(3R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(3R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn([C@@H]2CCCN(Cc3cnc4ncccn34)C2)n1.
What is the InChIKey of 1-[(3R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The InChIKey is DCTSQIYAIJCSNV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N7O/c1-18-16(25)15-5-9-24(21-15)13-4-2-7-22(11-13)12-14-10-20-17-19-6-3-8-23(14)17/h3,5-6,8-10,13H,2,4,7,11-12H2,1H3,(H,18,25)/t13-/m1/s1.
What are the key properties of 1-[(3R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
1-[(3R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 129332274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).