4-methyl-1-[[6-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridinyl]amino]pentan-2-ol

C18H23N5O — CID 90705968

IUPAC4-methyl-1-[[6-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridinyl]amino]pentan-2-ol
SMILESCC(C)CC(O)CNc1cccc(-c2nn(C)c3ncccc23)n1
InChIInChI=1S/C18H23N5O/c1-12(2)10-13(24)11-20-16-8-4-7-15(21-16)17-14-6-5-9-19-18(14)23(3)22-17/h4-9,12-13,24H,10-11H2,1-3H3,(H,20,21)
InChIKeyKJQHTEPEFWCHMF-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.85
Rot. Bonds6

About 4-methyl-1-[[6-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridinyl]amino]pentan-2-ol

4-methyl-1-[[6-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridinyl]amino]pentan-2-ol (PubChem CID 90705968) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-methyl-1-[[6-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridinyl]amino]pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-[[6-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridinyl]amino]pentan-2-ol
PubChem CID90705968
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name4-methyl-1-[[6-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridinyl]amino]pentan-2-ol
SMILESCC(C)CC(O)CNc1cccc(-c2nn(C)c3ncccc23)n1
InChIInChI=1S/C18H23N5O/c1-12(2)10-13(24)11-20-16-8-4-7-15(21-16)17-14-6-5-9-19-18(14)23(3)22-17/h4-9,12-13,24H,10-11H2,1-3H3,(H,20,21)
InChIKeyKJQHTEPEFWCHMF-UHFFFAOYSA-N
XLogP2.85
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[6-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridinyl]amino]pentan-2-ol?
The IUPAC name of 4-methyl-1-[[6-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridinyl]amino]pentan-2-ol (CID 90705968) is 4-methyl-1-[[6-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridinyl]amino]pentan-2-ol.
What is the SMILES notation for 4-methyl-1-[[6-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridinyl]amino]pentan-2-ol?
The canonical SMILES for 4-methyl-1-[[6-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridinyl]amino]pentan-2-ol is CC(C)CC(O)CNc1cccc(-c2nn(C)c3ncccc23)n1.
What is the InChIKey of 4-methyl-1-[[6-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridinyl]amino]pentan-2-ol?
The InChIKey is KJQHTEPEFWCHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-12(2)10-13(24)11-20-16-8-4-7-15(21-16)17-14-6-5-9-19-18(14)23(3)22-17/h4-9,12-13,24H,10-11H2,1-3H3,(H,20,21).
What are the key properties of 4-methyl-1-[[6-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridinyl]amino]pentan-2-ol?
4-methyl-1-[[6-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridinyl]amino]pentan-2-ol has a molecular weight of 325.42 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[6-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridinyl]amino]pentan-2-ol is sourced from PubChem (CID 90705968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).