1,3-dimethyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-5-carboxamide

C18H27N5O2 — CID 39485235

IUPAC1,3-dimethyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NC[C@@H]3CN(CC(C)C)CCO3)cc12
InChIInChI=1S/C18H27N5O2/c1-12(2)10-23-5-6-25-15(11-23)9-20-18(24)14-7-16-13(3)21-22(4)17(16)19-8-14/h7-8,12,15H,5-6,9-11H2,1-4H3,(H,20,24)/t15-/m1/s1
InChIKeyZVBSFUXTKKAXCA-OAHLLOKOSA-N
MW345.45 g/mol
LogP1.36
Rot. Bonds5

About 1,3-dimethyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-5-carboxamide

1,3-dimethyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 39485235) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1,3-dimethyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID39485235
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1,3-dimethyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NC[C@@H]3CN(CC(C)C)CCO3)cc12
InChIInChI=1S/C18H27N5O2/c1-12(2)10-23-5-6-25-15(11-23)9-20-18(24)14-7-16-13(3)21-22(4)17(16)19-8-14/h7-8,12,15H,5-6,9-11H2,1-4H3,(H,20,24)/t15-/m1/s1
InChIKeyZVBSFUXTKKAXCA-OAHLLOKOSA-N
XLogP1.36
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-5-carboxamide (CID 39485235) is 1,3-dimethyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)NC[C@@H]3CN(CC(C)C)CCO3)cc12.
What is the InChIKey of 1,3-dimethyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is ZVBSFUXTKKAXCA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-12(2)10-23-5-6-25-15(11-23)9-20-18(24)14-7-16-13(3)21-22(4)17(16)19-8-14/h7-8,12,15H,5-6,9-11H2,1-4H3,(H,20,24)/t15-/m1/s1.
What are the key properties of 1,3-dimethyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
1,3-dimethyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 39485235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).