trans-(1R,2R)-N-(1,3-dimethylpyrazol-4-yl)-2-[6-(1H-pyrazol-5-yl)pyridine-3-carbonyl]cyclohexane-1-carboxamide

C21H24N6O2 — CID 155543308

IUPACtrans-(1R,2R)-N-(1,3-dimethylpyrazol-4-yl)-2-[6-(1H-pyrazol-5-yl)pyridine-3-carbonyl]cyclohexane-1-carboxamide
SMILESCc1nn(C)cc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(-c2ccn[nH]2)nc1
InChIInChI=1S/C21H24N6O2/c1-13-19(12-27(2)26-13)24-21(29)16-6-4-3-5-15(16)20(28)14-7-8-17(22-11-14)18-9-10-23-25-18/h7-12,15-16H,3-6H2,1-2H3,(H,23,25)(H,24,29)/t15-,16-/m1/s1
InChIKeyCGBOMWRTAFBZSY-HZPDHXFCSA-N
MW392.46 g/mol
LogP3.14
Rot. Bonds5

About trans-(1R,2R)-N-(1,3-dimethylpyrazol-4-yl)-2-[6-(1H-pyrazol-5-yl)pyridine-3-carbonyl]cyclohexane-1-carboxamide

trans-(1R,2R)-N-(1,3-dimethylpyrazol-4-yl)-2-[6-(1H-pyrazol-5-yl)pyridine-3-carbonyl]cyclohexane-1-carboxamide (PubChem CID 155543308) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is trans-(1R,2R)-N-(1,3-dimethylpyrazol-4-yl)-2-[6-(1H-pyrazol-5-yl)pyridine-3-carbonyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(1,3-dimethylpyrazol-4-yl)-2-[6-(1H-pyrazol-5-yl)pyridine-3-carbonyl]cyclohexane-1-carboxamide
PubChem CID155543308
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Nametrans-(1R,2R)-N-(1,3-dimethylpyrazol-4-yl)-2-[6-(1H-pyrazol-5-yl)pyridine-3-carbonyl]cyclohexane-1-carboxamide
SMILESCc1nn(C)cc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(-c2ccn[nH]2)nc1
InChIInChI=1S/C21H24N6O2/c1-13-19(12-27(2)26-13)24-21(29)16-6-4-3-5-15(16)20(28)14-7-8-17(22-11-14)18-9-10-23-25-18/h7-12,15-16H,3-6H2,1-2H3,(H,23,25)(H,24,29)/t15-,16-/m1/s1
InChIKeyCGBOMWRTAFBZSY-HZPDHXFCSA-N
XLogP3.14
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(1,3-dimethylpyrazol-4-yl)-2-[6-(1H-pyrazol-5-yl)pyridine-3-carbonyl]cyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(1,3-dimethylpyrazol-4-yl)-2-[6-(1H-pyrazol-5-yl)pyridine-3-carbonyl]cyclohexane-1-carboxamide (CID 155543308) is trans-(1R,2R)-N-(1,3-dimethylpyrazol-4-yl)-2-[6-(1H-pyrazol-5-yl)pyridine-3-carbonyl]cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(1,3-dimethylpyrazol-4-yl)-2-[6-(1H-pyrazol-5-yl)pyridine-3-carbonyl]cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(1,3-dimethylpyrazol-4-yl)-2-[6-(1H-pyrazol-5-yl)pyridine-3-carbonyl]cyclohexane-1-carboxamide is Cc1nn(C)cc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(-c2ccn[nH]2)nc1.
What is the InChIKey of trans-(1R,2R)-N-(1,3-dimethylpyrazol-4-yl)-2-[6-(1H-pyrazol-5-yl)pyridine-3-carbonyl]cyclohexane-1-carboxamide?
The InChIKey is CGBOMWRTAFBZSY-HZPDHXFCSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-13-19(12-27(2)26-13)24-21(29)16-6-4-3-5-15(16)20(28)14-7-8-17(22-11-14)18-9-10-23-25-18/h7-12,15-16H,3-6H2,1-2H3,(H,23,25)(H,24,29)/t15-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-N-(1,3-dimethylpyrazol-4-yl)-2-[6-(1H-pyrazol-5-yl)pyridine-3-carbonyl]cyclohexane-1-carboxamide?
trans-(1R,2R)-N-(1,3-dimethylpyrazol-4-yl)-2-[6-(1H-pyrazol-5-yl)pyridine-3-carbonyl]cyclohexane-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(1,3-dimethylpyrazol-4-yl)-2-[6-(1H-pyrazol-5-yl)pyridine-3-carbonyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 155543308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).