(3R)-3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N,N-dimethylpyrrolidine-1-carboxamide

C24H32N6O3 — CID 67146632

IUPAC(3R)-3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCc1nn(-c2ccc(C(N)=O)c(N[C@@H]3CCN(C(=O)N(C)C)C3)c2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C24H32N6O3/c1-14-21-19(11-24(2,3)12-20(21)31)30(27-14)16-6-7-17(22(25)32)18(10-16)26-15-8-9-29(13-15)23(33)28(4)5/h6-7,10,15,26H,8-9,11-13H2,1-5H3,(H2,25,32)/t15-/m1/s1
InChIKeyGGROCJMAJVRJIW-OAHLLOKOSA-N
MW452.56 g/mol
LogP2.60
Rot. Bonds4

About (3R)-3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N,N-dimethylpyrrolidine-1-carboxamide

(3R)-3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N,N-dimethylpyrrolidine-1-carboxamide (PubChem CID 67146632) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is (3R)-3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N,N-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N,N-dimethylpyrrolidine-1-carboxamide
PubChem CID67146632
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC Name(3R)-3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCc1nn(-c2ccc(C(N)=O)c(N[C@@H]3CCN(C(=O)N(C)C)C3)c2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C24H32N6O3/c1-14-21-19(11-24(2,3)12-20(21)31)30(27-14)16-6-7-17(22(25)32)18(10-16)26-15-8-9-29(13-15)23(33)28(4)5/h6-7,10,15,26H,8-9,11-13H2,1-5H3,(H2,25,32)/t15-/m1/s1
InChIKeyGGROCJMAJVRJIW-OAHLLOKOSA-N
XLogP2.60
TPSA113.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N,N-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N,N-dimethylpyrrolidine-1-carboxamide (CID 67146632) is (3R)-3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N,N-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N,N-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N,N-dimethylpyrrolidine-1-carboxamide is Cc1nn(-c2ccc(C(N)=O)c(N[C@@H]3CCN(C(=O)N(C)C)C3)c2)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of (3R)-3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N,N-dimethylpyrrolidine-1-carboxamide?
The InChIKey is GGROCJMAJVRJIW-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-14-21-19(11-24(2,3)12-20(21)31)30(27-14)16-6-7-17(22(25)32)18(10-16)26-15-8-9-29(13-15)23(33)28(4)5/h6-7,10,15,26H,8-9,11-13H2,1-5H3,(H2,25,32)/t15-/m1/s1.
What are the key properties of (3R)-3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N,N-dimethylpyrrolidine-1-carboxamide?
(3R)-3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N,N-dimethylpyrrolidine-1-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-N,N-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 67146632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).