N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide

C18H26N4O3 — CID 109400023

IUPACN-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
SMILESCc1nc2c(c(C)c1CC(=O)N(C)CC1CCCC1O)c(=O)[nH]n2C
InChIInChI=1S/C18H26N4O3/c1-10-13(11(2)19-17-16(10)18(25)20-22(17)4)8-15(24)21(3)9-12-6-5-7-14(12)23/h12,14,23H,5-9H2,1-4H3,(H,20,25)
InChIKeyOXYRHQFCYBAIMV-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.04
Rot. Bonds4

About N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide

N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide (PubChem CID 109400023) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
PubChem CID109400023
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
SMILESCc1nc2c(c(C)c1CC(=O)N(C)CC1CCCC1O)c(=O)[nH]n2C
InChIInChI=1S/C18H26N4O3/c1-10-13(11(2)19-17-16(10)18(25)20-22(17)4)8-15(24)21(3)9-12-6-5-7-14(12)23/h12,14,23H,5-9H2,1-4H3,(H,20,25)
InChIKeyOXYRHQFCYBAIMV-UHFFFAOYSA-N
XLogP1.04
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminopropyl)-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 167784449
1,4,6-trimethyl-5-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one
CID 95317475
N-(4-aminocyclohexyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 119475374
N-(oxetan-3-yl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 155953615
N-[2-(aminomethyl)cyclohexyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;dihydrochloride
CID 119611977
5-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
CID 119435162
1,4,6-trimethyl-5-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one
CID 119649361
1,4,6-trimethyl-5-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one;hydrochloride
CID 119488813
N-[(3S)-1-ethylpiperidin-3-yl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 95282758
N-(2-amino-2-methylpropyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 119626783
3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoic acid
CID 39869734
N-(2-aminoethyl)-N-(2-phenylethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 120886614

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide (CID 109400023) is N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide is Cc1nc2c(c(C)c1CC(=O)N(C)CC1CCCC1O)c(=O)[nH]n2C.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
The InChIKey is OXYRHQFCYBAIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-10-13(11(2)19-17-16(10)18(25)20-22(17)4)8-15(24)21(3)9-12-6-5-7-14(12)23/h12,14,23H,5-9H2,1-4H3,(H,20,25).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide has a molecular weight of 346.43 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide is sourced from PubChem (CID 109400023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).