(6S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide

C24H25FN6O3 — CID 50905286

IUPAC(6S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
SMILESCc1cc2cnn(CC(=O)N(C)C)c2cc1NC(=O)C1=CN(C)C(=O)N[C@H]1c1ccc(F)cc1
InChIInChI=1S/C24H25FN6O3/c1-14-9-16-11-26-31(13-21(32)29(2)3)20(16)10-19(14)27-23(33)18-12-30(4)24(34)28-22(18)15-5-7-17(25)8-6-15/h5-12,22H,13H2,1-4H3,(H,27,33)(H,28,34)/t22-/m0/s1
InChIKeyXGDFACCLIZSDOG-QFIPXVFZSA-N
MW464.50 g/mol
LogP2.79
Rot. Bonds5

About (6S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide

(6S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide (PubChem CID 50905286) has the molecular formula C24H25FN6O3 and a molecular weight of 464.50 g/mol. Its IUPAC name is (6S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name(6S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
PubChem CID50905286
Molecular FormulaC24H25FN6O3
Molecular Weight464.50 g/mol
Exact Mass464.20
IUPAC Name(6S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
SMILESCc1cc2cnn(CC(=O)N(C)C)c2cc1NC(=O)C1=CN(C)C(=O)N[C@H]1c1ccc(F)cc1
InChIInChI=1S/C24H25FN6O3/c1-14-9-16-11-26-31(13-21(32)29(2)3)20(16)10-19(14)27-23(33)18-12-30(4)24(34)28-22(18)15-5-7-17(25)8-6-15/h5-12,22H,13H2,1-4H3,(H,27,33)(H,28,34)/t22-/m0/s1
InChIKeyXGDFACCLIZSDOG-QFIPXVFZSA-N
XLogP2.79
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The IUPAC name of (6S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide (CID 50905286) is (6S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for (6S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The canonical SMILES for (6S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide is Cc1cc2cnn(CC(=O)N(C)C)c2cc1NC(=O)C1=CN(C)C(=O)N[C@H]1c1ccc(F)cc1.
What is the InChIKey of (6S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The InChIKey is XGDFACCLIZSDOG-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H25FN6O3/c1-14-9-16-11-26-31(13-21(32)29(2)3)20(16)10-19(14)27-23(33)18-12-30(4)24(34)28-22(18)15-5-7-17(25)8-6-15/h5-12,22H,13H2,1-4H3,(H,27,33)(H,28,34)/t22-/m0/s1.
What are the key properties of (6S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
(6S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide has a molecular weight of 464.50 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 50905286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).