(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide

C28H25Cl2N5O2 — CID 58629480

IUPAC(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
SMILESCOc1ccc(/C=C2\CNCc3c(C(=O)N[C@H](C)c4ccccn4)nn(-c4ccc(Cl)cc4Cl)c32)cc1
InChIInChI=1S/C28H25Cl2N5O2/c1-17(24-5-3-4-12-32-24)33-28(36)26-22-16-31-15-19(13-18-6-9-21(37-2)10-7-18)27(22)35(34-26)25-11-8-20(29)14-23(25)30/h3-14,17,31H,15-16H2,1-2H3,(H,33,36)/b19-13+/t17-/m1/s1
InChIKeyFYBGRDRBYFMEFI-HNMKQIAWSA-N
MW534.45 g/mol
LogP5.72
Rot. Bonds6

About (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide

(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 58629480) has the molecular formula C28H25Cl2N5O2 and a molecular weight of 534.45 g/mol. Its IUPAC name is (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
PubChem CID58629480
Molecular FormulaC28H25Cl2N5O2
Molecular Weight534.45 g/mol
Exact Mass533.14
IUPAC Name(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
SMILESCOc1ccc(/C=C2\CNCc3c(C(=O)N[C@H](C)c4ccccn4)nn(-c4ccc(Cl)cc4Cl)c32)cc1
InChIInChI=1S/C28H25Cl2N5O2/c1-17(24-5-3-4-12-32-24)33-28(36)26-22-16-31-15-19(13-18-6-9-21(37-2)10-7-18)27(22)35(34-26)25-11-8-20(29)14-23(25)30/h3-14,17,31H,15-16H2,1-2H3,(H,33,36)/b19-13+/t17-/m1/s1
InChIKeyFYBGRDRBYFMEFI-HNMKQIAWSA-N
XLogP5.72
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.45
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (CID 58629480) is (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is COc1ccc(/C=C2\CNCc3c(C(=O)N[C@H](C)c4ccccn4)nn(-c4ccc(Cl)cc4Cl)c32)cc1.
What is the InChIKey of (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is FYBGRDRBYFMEFI-HNMKQIAWSA-N. The full InChI is InChI=1S/C28H25Cl2N5O2/c1-17(24-5-3-4-12-32-24)33-28(36)26-22-16-31-15-19(13-18-6-9-21(37-2)10-7-18)27(22)35(34-26)25-11-8-20(29)14-23(25)30/h3-14,17,31H,15-16H2,1-2H3,(H,33,36)/b19-13+/t17-/m1/s1.
What are the key properties of (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 534.45 g/mol, XLogP of 5.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 58629480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).