(4S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C22H24N4O3 — CID 51499011

IUPAC(4S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC(=O)N1c2ccc(NC(=O)[C@]3(C)CC(=O)N=C4C=C(C)C=CN43)cc2C[C@H]1C
InChIInChI=1S/C22H24N4O3/c1-13-7-8-25-19(9-13)24-20(28)12-22(25,4)21(29)23-17-5-6-18-16(11-17)10-14(2)26(18)15(3)27/h5-9,11,14H,10,12H2,1-4H3,(H,23,29)/t14-,22+/m1/s1
InChIKeyACZWQPKILKCREY-PEBXRYMYSA-N
MW392.46 g/mol
LogP2.79
Rot. Bonds2

About (4S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

(4S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 51499011) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (4S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID51499011
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(4S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC(=O)N1c2ccc(NC(=O)[C@]3(C)CC(=O)N=C4C=C(C)C=CN43)cc2C[C@H]1C
InChIInChI=1S/C22H24N4O3/c1-13-7-8-25-19(9-13)24-20(28)12-22(25,4)21(29)23-17-5-6-18-16(11-17)10-14(2)26(18)15(3)27/h5-9,11,14H,10,12H2,1-4H3,(H,23,29)/t14-,22+/m1/s1
InChIKeyACZWQPKILKCREY-PEBXRYMYSA-N
XLogP2.79
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide with MolForge

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Related Compounds

(4S)-N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 51499012
(2S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-methyloxolane-2-carboxamide
CID 51498983
N-[1-(4-fluorophenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 46964011
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108800983
1-(2,5-dimethyl-2,3-dihydroindol-1-yl)ethanone
CID 170151207
N-(3,5-dichloro-4-hydroxyphenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108801061
N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1-phenyltriazole-4-carboxamide
CID 51499002
N-[3-(2-methoxyphenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 16677948
N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 51498960
4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108810284
N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2,3-dimethyl-1H-indole-6-carboxamide
CID 51498992
(2S)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637750

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of (4S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 51499011) is (4S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is CC(=O)N1c2ccc(NC(=O)[C@]3(C)CC(=O)N=C4C=C(C)C=CN43)cc2C[C@H]1C.
What is the InChIKey of (4S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is ACZWQPKILKCREY-PEBXRYMYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-13-7-8-25-19(9-13)24-20(28)12-22(25,4)21(29)23-17-5-6-18-16(11-17)10-14(2)26(18)15(3)27/h5-9,11,14H,10,12H2,1-4H3,(H,23,29)/t14-,22+/m1/s1.
What are the key properties of (4S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
(4S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 51499011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).