6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carbohydrazide

C18H20N6O2 — CID 56597158

IUPAC6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCc1cc(C)c(CN(N)C(=O)c2cc(C3CC3)nc3[nH]ncc23)c(=O)[nH]1
InChIInChI=1S/C18H20N6O2/c1-9-5-10(2)21-17(25)14(9)8-24(19)18(26)12-6-15(11-3-4-11)22-16-13(12)7-20-23-16/h5-7,11H,3-4,8,19H2,1-2H3,(H,21,25)(H,20,22,23)
InChIKeyYTVDTODTVTVIPB-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.66
Rot. Bonds4

About 6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carbohydrazide

6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carbohydrazide (PubChem CID 56597158) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carbohydrazide.

Molecular Properties

Compound Name6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carbohydrazide
PubChem CID56597158
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCc1cc(C)c(CN(N)C(=O)c2cc(C3CC3)nc3[nH]ncc23)c(=O)[nH]1
InChIInChI=1S/C18H20N6O2/c1-9-5-10(2)21-17(25)14(9)8-24(19)18(26)12-6-15(11-3-4-11)22-16-13(12)7-20-23-16/h5-7,11H,3-4,8,19H2,1-2H3,(H,21,25)(H,20,22,23)
InChIKeyYTVDTODTVTVIPB-UHFFFAOYSA-N
XLogP1.66
TPSA120.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carbohydrazide?
The IUPAC name of 6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carbohydrazide (CID 56597158) is 6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carbohydrazide.
What is the SMILES notation for 6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carbohydrazide?
The canonical SMILES for 6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carbohydrazide is Cc1cc(C)c(CN(N)C(=O)c2cc(C3CC3)nc3[nH]ncc23)c(=O)[nH]1.
What is the InChIKey of 6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carbohydrazide?
The InChIKey is YTVDTODTVTVIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-9-5-10(2)21-17(25)14(9)8-24(19)18(26)12-6-15(11-3-4-11)22-16-13(12)7-20-23-16/h5-7,11H,3-4,8,19H2,1-2H3,(H,21,25)(H,20,22,23).
What are the key properties of 6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carbohydrazide?
6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carbohydrazide has a molecular weight of 352.40 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carbohydrazide is sourced from PubChem (CID 56597158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).