6-cyclopropyl-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C17H20N6O2 — CID 39418495

IUPAC6-cyclopropyl-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C
InChIInChI=1S/C17H20N6O2/c1-21(8-10-7-18-22(2)9-10)17(25)12-6-13(11-4-5-11)19-15-14(12)16(24)20-23(15)3/h6-7,9,11H,4-5,8H2,1-3H3,(H,20,24)
InChIKeyWKLYEYLTVZUJJH-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.14
Rot. Bonds4

About 6-cyclopropyl-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

6-cyclopropyl-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 39418495) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 6-cyclopropyl-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID39418495
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name6-cyclopropyl-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C
InChIInChI=1S/C17H20N6O2/c1-21(8-10-7-18-22(2)9-10)17(25)12-6-13(11-4-5-11)19-15-14(12)16(24)20-23(15)3/h6-7,9,11H,4-5,8H2,1-3H3,(H,20,24)
InChIKeyWKLYEYLTVZUJJH-UHFFFAOYSA-N
XLogP1.14
TPSA88.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-cyclopropyl-N-methyl-2,4-dioxo-1-propyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 78860350
N-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-ethyl-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39628079
5-cyclopropyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440882
N-[(3-methoxyphenyl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 39910874
3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31843005
3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61139345
5-bromo-2-iodo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31844680
6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 120889439
6-cyclopropyl-N-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 166228325
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3-carboxamide
CID 146086977
3-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid
CID 122111825
N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51336601

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 39418495) is 6-cyclopropyl-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is CN(Cc1cnn(C)c1)C(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C.
What is the InChIKey of 6-cyclopropyl-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is WKLYEYLTVZUJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-21(8-10-7-18-22(2)9-10)17(25)12-6-13(11-4-5-11)19-15-14(12)16(24)20-23(15)3/h6-7,9,11H,4-5,8H2,1-3H3,(H,20,24).
What are the key properties of 6-cyclopropyl-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 39418495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).