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

C21H31N5O2 — CID 134026142

IUPAC6-cyclopropyl-1,3-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)NCC3CN(CC(C)C)CCO3)c12
InChIInChI=1S/C21H31N5O2/c1-13(2)11-26-7-8-28-16(12-26)10-22-21(27)17-9-18(15-5-6-15)23-20-19(17)14(3)24-25(20)4/h9,13,15-16H,5-8,10-12H2,1-4H3,(H,22,27)
InChIKeyHJXQBFDLFNBURM-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.24
Rot. Bonds6

About 6-cyclopropyl-1,3-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-1,3-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134026142) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 6-cyclopropyl-1,3-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-1,3-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134026142
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name6-cyclopropyl-1,3-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)NCC3CN(CC(C)C)CCO3)c12
InChIInChI=1S/C21H31N5O2/c1-13(2)11-26-7-8-28-16(12-26)10-22-21(27)17-9-18(15-5-6-15)23-20-19(17)14(3)24-25(20)4/h9,13,15-16H,5-8,10-12H2,1-4H3,(H,22,27)
InChIKeyHJXQBFDLFNBURM-UHFFFAOYSA-N
XLogP2.24
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1,3-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-1,3-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 134026142) is 6-cyclopropyl-1,3-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-1,3-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-1,3-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCC3CN(CC(C)C)CCO3)c12.
What is the InChIKey of 6-cyclopropyl-1,3-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HJXQBFDLFNBURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-13(2)11-26-7-8-28-16(12-26)10-22-21(27)17-9-18(15-5-6-15)23-20-19(17)14(3)24-25(20)4/h9,13,15-16H,5-8,10-12H2,1-4H3,(H,22,27).
What are the key properties of 6-cyclopropyl-1,3-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-1,3-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1,3-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134026142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).