N-[(1-hydroxycyclopentyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

C17H24N4O2 — CID 111333170

IUPACN-[(1-hydroxycyclopentyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2(O)CCCC2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C17H24N4O2/c1-11(2)21-15-14(9-19-21)13(8-12(3)20-15)16(22)18-10-17(23)6-4-5-7-17/h8-9,11,23H,4-7,10H2,1-3H3,(H,18,22)
InChIKeyGQEAYLOIINWSRO-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.36
Rot. Bonds4

About N-[(1-hydroxycyclopentyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[(1-hydroxycyclopentyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 111333170) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID111333170
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2(O)CCCC2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C17H24N4O2/c1-11(2)21-15-14(9-19-21)13(8-12(3)20-15)16(22)18-10-17(23)6-4-5-7-17/h8-9,11,23H,4-7,10H2,1-3H3,(H,18,22)
InChIKeyGQEAYLOIINWSRO-UHFFFAOYSA-N
XLogP2.36
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 111333171
N-[(1-hydroxycyclobutyl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 111696594
6-methyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 43044165
6-methyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120828292
6-methyl-N-[(6-oxo-2-phenylpiperidin-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 167745423
N-[2-(ethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119504676
N-[[(1S,3R)-1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 99788790
8-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]octanoic acid
CID 120535674
N-(2-amino-2-ethylbutyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119639741
6-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 56714235
N-[(1R,2R)-2-hydroxycyclohexyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 97003571
6-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 100616519

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 111333170) is N-[(1-hydroxycyclopentyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCC2(O)CCCC2)c2cnn(C(C)C)c2n1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is GQEAYLOIINWSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11(2)21-15-14(9-19-21)13(8-12(3)20-15)16(22)18-10-17(23)6-4-5-7-17/h8-9,11,23H,4-7,10H2,1-3H3,(H,18,22).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[(1-hydroxycyclopentyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 111333170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).