3,6-dicyclopropyl-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H23F2N5O2 — CID 19588572

IUPAC3,6-dicyclopropyl-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C)c1cccc(OC(F)F)c1
InChIInChI=1S/C23H23F2N5O2/c1-12(15-4-3-5-16(10-15)32-23(24)25)27-28-22(31)17-11-18(13-6-7-13)26-21-19(17)20(14-8-9-14)29-30(21)2/h3-5,10-11,13-14,23H,6-9H2,1-2H3,(H,28,31)/b27-12+
InChIKeySASNKRJHYUHYKM-KKMKTNMSSA-N
MW439.47 g/mol
LogP4.48
Rot. Bonds7

About 3,6-dicyclopropyl-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

3,6-dicyclopropyl-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 19588572) has the molecular formula C23H23F2N5O2 and a molecular weight of 439.47 g/mol. Its IUPAC name is 3,6-dicyclopropyl-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,6-dicyclopropyl-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID19588572
Molecular FormulaC23H23F2N5O2
Molecular Weight439.47 g/mol
Exact Mass439.18
IUPAC Name3,6-dicyclopropyl-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C)c1cccc(OC(F)F)c1
InChIInChI=1S/C23H23F2N5O2/c1-12(15-4-3-5-16(10-15)32-23(24)25)27-28-22(31)17-11-18(13-6-7-13)26-21-19(17)20(14-8-9-14)29-30(21)2/h3-5,10-11,13-14,23H,6-9H2,1-2H3,(H,28,31)/b27-12+
InChIKeySASNKRJHYUHYKM-KKMKTNMSSA-N
XLogP4.48
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 19588555
N,6-dicyclopropyl-1-methyl-3-piperidin-4-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 118740506
6-bromo-2-cyclopropyl-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6040283
6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803967
6-cyclopropyl-N,1-dimethyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803146
1-[(3,6-dicyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-ethylthiourea
CID 19588511
3,6-dicyclopropyl-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17026048
methyl 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19616466
6-cyclopropyl-1,3-dimethyl-N-(3-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 31769500
6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 31761752
3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-6-cyclopropyl-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803082
6-cyclopropyl-N'-[2-(4-fluorophenoxy)propanoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 43043122

Frequently Asked Questions

What is the IUPAC name of 3,6-dicyclopropyl-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3,6-dicyclopropyl-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 19588572) is 3,6-dicyclopropyl-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3,6-dicyclopropyl-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3,6-dicyclopropyl-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is C/C(=N\NC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C)c1cccc(OC(F)F)c1.
What is the InChIKey of 3,6-dicyclopropyl-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SASNKRJHYUHYKM-KKMKTNMSSA-N. The full InChI is InChI=1S/C23H23F2N5O2/c1-12(15-4-3-5-16(10-15)32-23(24)25)27-28-22(31)17-11-18(13-6-7-13)26-21-19(17)20(14-8-9-14)29-30(21)2/h3-5,10-11,13-14,23H,6-9H2,1-2H3,(H,28,31)/b27-12+.
What are the key properties of 3,6-dicyclopropyl-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
3,6-dicyclopropyl-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 439.47 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dicyclopropyl-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 19588572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).