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

C25H26FN5O3 — CID 59377442

IUPAC(4S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCc1cc2cnn(CC(=O)N(C)C)c2cc1NC(=O)C1=CN(C)C(=O)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C25H26FN5O3/c1-15-9-17-12-27-31(14-24(33)29(2)3)22(17)11-21(15)28-25(34)20-13-30(4)23(32)10-19(20)16-5-7-18(26)8-6-16/h5-9,11-13,19H,10,14H2,1-4H3,(H,28,34)/t19-/m0/s1
InChIKeyTYRLVOKXQQRLLC-IBGZPJMESA-N
MW463.51 g/mol
LogP3.04
Rot. Bonds5

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

(4S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide (PubChem CID 59377442) has the molecular formula C25H26FN5O3 and a molecular weight of 463.51 g/mol. Its IUPAC name is (4S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name(4S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
PubChem CID59377442
Molecular FormulaC25H26FN5O3
Molecular Weight463.51 g/mol
Exact Mass463.20
IUPAC Name(4S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCc1cc2cnn(CC(=O)N(C)C)c2cc1NC(=O)C1=CN(C)C(=O)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C25H26FN5O3/c1-15-9-17-12-27-31(14-24(33)29(2)3)22(17)11-21(15)28-25(34)20-13-30(4)23(32)10-19(20)16-5-7-18(26)8-6-16/h5-9,11-13,19H,10,14H2,1-4H3,(H,28,34)/t19-/m0/s1
InChIKeyTYRLVOKXQQRLLC-IBGZPJMESA-N
XLogP3.04
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of (4S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide (CID 59377442) is (4S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide.
What is the SMILES notation for (4S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for (4S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide is Cc1cc2cnn(CC(=O)N(C)C)c2cc1NC(=O)C1=CN(C)C(=O)C[C@H]1c1ccc(F)cc1.
What is the InChIKey of (4S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The InChIKey is TYRLVOKXQQRLLC-IBGZPJMESA-N. The full InChI is InChI=1S/C25H26FN5O3/c1-15-9-17-12-27-31(14-24(33)29(2)3)22(17)11-21(15)28-25(34)20-13-30(4)23(32)10-19(20)16-5-7-18(26)8-6-16/h5-9,11-13,19H,10,14H2,1-4H3,(H,28,34)/t19-/m0/s1.
What are the key properties of (4S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
(4S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide has a molecular weight of 463.51 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-5-methylindazol-6-yl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 59377442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).