N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H27F2N7O2 — CID 19588555

IUPACN-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCn1nc(C)c2c(C(=O)N/N=C(\C)c3cccc(OC(F)F)c3)cc(-c3cnn(C)c3C)nc21
InChIInChI=1S/C25H27F2N7O2/c1-6-10-34-23-22(15(3)32-34)19(12-21(29-23)20-13-28-33(5)16(20)4)24(35)31-30-14(2)17-8-7-9-18(11-17)36-25(26)27/h7-9,11-13,25H,6,10H2,1-5H3,(H,31,35)/b30-14+
InChIKeyMMQOWEJRVCBGMX-AMVVHIIESA-N
MW495.53 g/mol
LogP4.61
Rot. Bonds8

About N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 19588555) has the molecular formula C25H27F2N7O2 and a molecular weight of 495.53 g/mol. Its IUPAC name is N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID19588555
Molecular FormulaC25H27F2N7O2
Molecular Weight495.53 g/mol
Exact Mass495.22
IUPAC NameN-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCn1nc(C)c2c(C(=O)N/N=C(\C)c3cccc(OC(F)F)c3)cc(-c3cnn(C)c3C)nc21
InChIInChI=1S/C25H27F2N7O2/c1-6-10-34-23-22(15(3)32-34)19(12-21(29-23)20-13-28-33(5)16(20)4)24(35)31-30-14(2)17-8-7-9-18(11-17)36-25(26)27/h7-9,11-13,25H,6,10H2,1-5H3,(H,31,35)/b30-14+
InChIKeyMMQOWEJRVCBGMX-AMVVHIIESA-N
XLogP4.61
TPSA99.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.53
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

6-(1,5-dimethylpyrazol-4-yl)-3-methyl-N-[(E)-1-(2-methylpyrazol-3-yl)ethylideneamino]-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 19588413
methyl 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19616472
3,6-dicyclopropyl-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 19588572
6-[3-(difluoromethoxy)phenyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315358
N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512537
(4-bromo-1-propylpyrazol-5-yl)-[3-(difluoromethoxy)phenyl]methanone
CID 115804609
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51852899
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51852900
N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 4606175
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide
CID 19296446
N-[2-(difluoromethoxy)-4-methylphenyl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512452
N-(1-ethyl-5-methylpyrazol-4-yl)-1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821435

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 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) is N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide is CCCn1nc(C)c2c(C(=O)N/N=C(\C)c3cccc(OC(F)F)c3)cc(-c3cnn(C)c3C)nc21.
What is the InChIKey of N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MMQOWEJRVCBGMX-AMVVHIIESA-N. The full InChI is InChI=1S/C25H27F2N7O2/c1-6-10-34-23-22(15(3)32-34)19(12-21(29-23)20-13-28-33(5)16(20)4)24(35)31-30-14(2)17-8-7-9-18(11-17)36-25(26)27/h7-9,11-13,25H,6,10H2,1-5H3,(H,31,35)/b30-14+.
What are the key properties of N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 495.53 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 19588555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).