N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide

C20H30N4O2 — CID 51725876

IUPACN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
SMILESCc1nn(C)c2ncc(NC(=O)CO[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)cc12
InChIInChI=1S/C20H30N4O2/c1-12(2)16-7-6-13(3)8-18(16)26-11-19(25)22-15-9-17-14(4)23-24(5)20(17)21-10-15/h9-10,12-13,16,18H,6-8,11H2,1-5H3,(H,22,25)/t13-,16-,18-/m1/s1
InChIKeyJDWDKAMTUXPBIU-MZMPZRCHSA-N
MW358.49 g/mol
LogP3.69
Rot. Bonds5

About N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide (PubChem CID 51725876) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
PubChem CID51725876
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
SMILESCc1nn(C)c2ncc(NC(=O)CO[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)cc12
InChIInChI=1S/C20H30N4O2/c1-12(2)16-7-6-13(3)8-18(16)26-11-19(25)22-15-9-17-14(4)23-24(5)20(17)21-10-15/h9-10,12-13,16,18H,6-8,11H2,1-5H3,(H,22,25)/t13-,16-,18-/m1/s1
InChIKeyJDWDKAMTUXPBIU-MZMPZRCHSA-N
XLogP3.69
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide?
The IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide (CID 51725876) is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide?
The canonical SMILES for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide is Cc1nn(C)c2ncc(NC(=O)CO[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)cc12.
What is the InChIKey of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide?
The InChIKey is JDWDKAMTUXPBIU-MZMPZRCHSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-12(2)16-7-6-13(3)8-18(16)26-11-19(25)22-15-9-17-14(4)23-24(5)20(17)21-10-15/h9-10,12-13,16,18H,6-8,11H2,1-5H3,(H,22,25)/t13-,16-,18-/m1/s1.
What are the key properties of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide?
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide has a molecular weight of 358.49 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide is sourced from PubChem (CID 51725876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).