(5R)-N-(2-fluoro-4-methylphenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

C24H22FN5O3 — CID 136896676

IUPAC(5R)-N-(2-fluoro-4-methylphenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4c5ccccc5C[C@H]4C)[nH]c(=O)c32)c(F)c1
InChIInChI=1S/C24H22FN5O3/c1-12-7-8-17(16(25)9-12)26-22(32)15-11-19(31)27-21-20(15)23(33)29-24(28-21)30-13(2)10-14-5-3-4-6-18(14)30/h3-9,13,15H,10-11H2,1-2H3,(H,26,32)(H2,27,28,29,31,33)/t13-,15-/m1/s1
InChIKeyWNVNKWIQJOWGFZ-UKRRQHHQSA-N
MW447.47 g/mol
LogP3.36
Rot. Bonds3

About (5R)-N-(2-fluoro-4-methylphenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

(5R)-N-(2-fluoro-4-methylphenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 136896676) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is (5R)-N-(2-fluoro-4-methylphenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-(2-fluoro-4-methylphenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID136896676
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC Name(5R)-N-(2-fluoro-4-methylphenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4c5ccccc5C[C@H]4C)[nH]c(=O)c32)c(F)c1
InChIInChI=1S/C24H22FN5O3/c1-12-7-8-17(16(25)9-12)26-22(32)15-11-19(31)27-21-20(15)23(33)29-24(28-21)30-13(2)10-14-5-3-4-6-18(14)30/h3-9,13,15H,10-11H2,1-2H3,(H,26,32)(H2,27,28,29,31,33)/t13-,15-/m1/s1
InChIKeyWNVNKWIQJOWGFZ-UKRRQHHQSA-N
XLogP3.36
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (5R)-N-(2-fluoro-4-methylphenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

(5R)-N-(2-fluoro-4-methylphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136896660
(5S)-N-(2-fluorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875653
(5R)-N-(2-chloro-4-methylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875874
(5R)-2-(3-chloroanilino)-N-(2-fluoro-4-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136876142
(5S)-N-(2-fluorophenyl)-2-methylsulfanyl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136884865
2-(3,5-dimethylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994693
(5S)-N-(2,5-dimethylphenyl)-2-[(3R)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136742728
(5R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxy-5-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875438
(5S)-N-(2,4-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875696
N-(2-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994105
(5R)-N-(4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875586
4-amino-N-(2-fluoro-4-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 43853903

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(2-fluoro-4-methylphenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of (5R)-N-(2-fluoro-4-methylphenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (CID 136896676) is (5R)-N-(2-fluoro-4-methylphenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for (5R)-N-(2-fluoro-4-methylphenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for (5R)-N-(2-fluoro-4-methylphenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4c5ccccc5C[C@H]4C)[nH]c(=O)c32)c(F)c1.
What is the InChIKey of (5R)-N-(2-fluoro-4-methylphenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is WNVNKWIQJOWGFZ-UKRRQHHQSA-N. The full InChI is InChI=1S/C24H22FN5O3/c1-12-7-8-17(16(25)9-12)26-22(32)15-11-19(31)27-21-20(15)23(33)29-24(28-21)30-13(2)10-14-5-3-4-6-18(14)30/h3-9,13,15H,10-11H2,1-2H3,(H,26,32)(H2,27,28,29,31,33)/t13-,15-/m1/s1.
What are the key properties of (5R)-N-(2-fluoro-4-methylphenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
(5R)-N-(2-fluoro-4-methylphenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 447.47 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(2-fluoro-4-methylphenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 136896676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).