N-[4-(dimethylamino)phenyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide

C22H27N5O2 — CID 178187396

IUPACN-[4-(dimethylamino)phenyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCN1CC(C(=O)Nc2ccc(N(C)C)cc2)C2NN(c3ccccc3)C(=O)C2C1
InChIInChI=1S/C22H27N5O2/c1-25(2)16-11-9-15(10-12-16)23-21(28)18-13-26(3)14-19-20(18)24-27(22(19)29)17-7-5-4-6-8-17/h4-12,18-20,24H,13-14H2,1-3H3,(H,23,28)
InChIKeyXBQFXAPCBZTLCF-UHFFFAOYSA-N
MW393.49 g/mol
LogP1.79
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide

N-[4-(dimethylamino)phenyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 178187396) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID178187396
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-[4-(dimethylamino)phenyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCN1CC(C(=O)Nc2ccc(N(C)C)cc2)C2NN(c3ccccc3)C(=O)C2C1
InChIInChI=1S/C22H27N5O2/c1-25(2)16-11-9-15(10-12-16)23-21(28)18-13-26(3)14-19-20(18)24-27(22(19)29)17-7-5-4-6-8-17/h4-12,18-20,24H,13-14H2,1-3H3,(H,23,28)
InChIKeyXBQFXAPCBZTLCF-UHFFFAOYSA-N
XLogP1.79
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-oxo-2-phenyl-N-(4-propan-2-ylphenyl)-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178186755
methyl 4-[(5-ethyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carbonyl)amino]benzoate
CID 178187270
5-(2-methoxyethyl)-3-oxo-2-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178187947
N-[(3-methoxyphenyl)methyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178187981
7-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
CID 178187970
2-[4-(5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 178188112
N-(3-chloro-4-methylphenyl)-3-oxo-2-phenyl-5-prop-2-enyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178186742
(3R,4R)-1-methyl-N,4-diphenylpyrrolidine-3-carboxamide
CID 100894597
N-[4-(dimethylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3109767
1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143918
N-(4-bromo-2-methylphenyl)-3-oxo-2-phenyl-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178186736
N-(2,2-dimethoxyethyl)-3-oxo-2-phenyl-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178187728

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide (CID 178187396) is N-[4-(dimethylamino)phenyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide is CN1CC(C(=O)Nc2ccc(N(C)C)cc2)C2NN(c3ccccc3)C(=O)C2C1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is XBQFXAPCBZTLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-25(2)16-11-9-15(10-12-16)23-21(28)18-13-26(3)14-19-20(18)24-27(22(19)29)17-7-5-4-6-8-17/h4-12,18-20,24H,13-14H2,1-3H3,(H,23,28).
What are the key properties of N-[4-(dimethylamino)phenyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide?
N-[4-(dimethylamino)phenyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 178187396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).