3,6-dimethyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

C21H31N5O2 — CID 91957324

IUPAC3,6-dimethyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2(CN3CCOCC3)CC2)c2c(C)nn(C(C)C)c2n1
InChIInChI=1S/C21H31N5O2/c1-14(2)26-19-18(16(4)24-26)17(11-15(3)23-19)20(27)22-12-21(5-6-21)13-25-7-9-28-10-8-25/h11,14H,5-10,12-13H2,1-4H3,(H,22,27)
InChIKeyODVYJSHHHMJLGS-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.47
Rot. Bonds6

About 3,6-dimethyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

3,6-dimethyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 91957324) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 3,6-dimethyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID91957324
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name3,6-dimethyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2(CN3CCOCC3)CC2)c2c(C)nn(C(C)C)c2n1
InChIInChI=1S/C21H31N5O2/c1-14(2)26-19-18(16(4)24-26)17(11-15(3)23-19)20(27)22-12-21(5-6-21)13-25-7-9-28-10-8-25/h11,14H,5-10,12-13H2,1-4H3,(H,22,27)
InChIKeyODVYJSHHHMJLGS-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 3,6-dimethyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 91957324) is 3,6-dimethyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCC2(CN3CCOCC3)CC2)c2c(C)nn(C(C)C)c2n1.
What is the InChIKey of 3,6-dimethyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is ODVYJSHHHMJLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-14(2)26-19-18(16(4)24-26)17(11-15(3)23-19)20(27)22-12-21(5-6-21)13-25-7-9-28-10-8-25/h11,14H,5-10,12-13H2,1-4H3,(H,22,27).
What are the key properties of 3,6-dimethyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
3,6-dimethyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 91957324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).