(1S,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide

C17H22N6O — CID 167974359

IUPAC(1S,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide
SMILESCc1cc(C)nc(-n2nccc2NC(=O)N2CC[C@@H]3CC[C@@]32C)n1
InChIInChI=1S/C17H22N6O/c1-11-10-12(2)20-15(19-11)23-14(5-8-18-23)21-16(24)22-9-6-13-4-7-17(13,22)3/h5,8,10,13H,4,6-7,9H2,1-3H3,(H,21,24)/t13-,17-/m0/s1
InChIKeySTBHZXVWYSKCMS-GUYCJALGSA-N
MW326.40 g/mol
LogP2.69
Rot. Bonds2

About (1S,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide

(1S,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide (PubChem CID 167974359) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is (1S,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide
PubChem CID167974359
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name(1S,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide
SMILESCc1cc(C)nc(-n2nccc2NC(=O)N2CC[C@@H]3CC[C@@]32C)n1
InChIInChI=1S/C17H22N6O/c1-11-10-12(2)20-15(19-11)23-14(5-8-18-23)21-16(24)22-9-6-13-4-7-17(13,22)3/h5,8,10,13H,4,6-7,9H2,1-3H3,(H,21,24)/t13-,17-/m0/s1
InChIKeySTBHZXVWYSKCMS-GUYCJALGSA-N
XLogP2.69
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide with MolForge

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Related Compounds

(3R)-1-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]piperidine-1,3-dicarboxamide
CID 124735992
N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 154804958
3-[[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122091236
1-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-(1H-imidazol-2-ylmethyl)urea
CID 166221031
N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-2-(1H-indol-3-yl)acetamide
CID 122148683
N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-phenylmethanesulfonamide
CID 75394172
2-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 75442974
1-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-[(1R)-1-(3-fluoro-4-pyrazol-1-ylphenyl)ethyl]urea
CID 166294886
4,6-dimethyl-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine
CID 84588620
1-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122090384
3-(3-methylphenyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide
CID 118790711
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-7,7-dimethyl-1-oxo-1,4-thiazepane-4-carboxamide
CID 128702374

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide?
The IUPAC name of (1S,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide (CID 167974359) is (1S,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide.
What is the SMILES notation for (1S,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide?
The canonical SMILES for (1S,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide is Cc1cc(C)nc(-n2nccc2NC(=O)N2CC[C@@H]3CC[C@@]32C)n1.
What is the InChIKey of (1S,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide?
The InChIKey is STBHZXVWYSKCMS-GUYCJALGSA-N. The full InChI is InChI=1S/C17H22N6O/c1-11-10-12(2)20-15(19-11)23-14(5-8-18-23)21-16(24)22-9-6-13-4-7-17(13,22)3/h5,8,10,13H,4,6-7,9H2,1-3H3,(H,21,24)/t13-,17-/m0/s1.
What are the key properties of (1S,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide?
(1S,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide is sourced from PubChem (CID 167974359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).