4-methyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-3-ol

C16H26N4O — CID 111468138

IUPAC4-methyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-3-ol
SMILESCC(C)C(O)CCNCc1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C16H26N4O/c1-11(2)15(21)5-6-17-8-13-7-14-10-19-20(12(3)4)16(14)18-9-13/h7,9-12,15,17,21H,5-6,8H2,1-4H3
InChIKeyMYMFOTDTANVUQJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.51
Rot. Bonds7

About 4-methyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-3-ol

4-methyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-3-ol (PubChem CID 111468138) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-methyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-3-ol.

Molecular Properties

Compound Name4-methyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-3-ol
PubChem CID111468138
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-methyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-3-ol
SMILESCC(C)C(O)CCNCc1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C16H26N4O/c1-11(2)15(21)5-6-17-8-13-7-14-10-19-20(12(3)4)16(14)18-9-13/h7,9-12,15,17,21H,5-6,8H2,1-4H3
InChIKeyMYMFOTDTANVUQJ-UHFFFAOYSA-N
XLogP2.51
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol
CID 111118983
(2R)-2-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propan-1-ol
CID 110912907
1-(4-methylphenyl)-2-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethanol
CID 110912905
2,3-dimethyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol
CID 111118878
N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129475227
N-[(1-butan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-2-amine
CID 63770838
1-(3-methylbutyl)-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea
CID 51116464
N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 99835539
N-[(1-propylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine
CID 55241694
3-[2-hydroxyethyl-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]amino]propan-1-ol
CID 111113546
N-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581530
N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 28683271

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-3-ol?
The IUPAC name of 4-methyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-3-ol (CID 111468138) is 4-methyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-3-ol.
What is the SMILES notation for 4-methyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-3-ol?
The canonical SMILES for 4-methyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-3-ol is CC(C)C(O)CCNCc1cnc2c(cnn2C(C)C)c1.
What is the InChIKey of 4-methyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-3-ol?
The InChIKey is MYMFOTDTANVUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11(2)15(21)5-6-17-8-13-7-14-10-19-20(12(3)4)16(14)18-9-13/h7,9-12,15,17,21H,5-6,8H2,1-4H3.
What are the key properties of 4-methyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-3-ol?
4-methyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-3-ol has a molecular weight of 290.41 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-3-ol is sourced from PubChem (CID 111468138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).