3-anilino-6,6-dimethyl-2-[2-(3,3,3-trifluoropropylamino)-4-pyridinyl]-5,7-dihydro-1H-indol-4-one

C24H25F3N4O — CID 118606703

IUPAC3-anilino-6,6-dimethyl-2-[2-(3,3,3-trifluoropropylamino)-4-pyridinyl]-5,7-dihydro-1H-indol-4-one
SMILESCC1(C)CC(=O)c2c([nH]c(-c3ccnc(NCCC(F)(F)F)c3)c2Nc2ccccc2)C1
InChIInChI=1S/C24H25F3N4O/c1-23(2)13-17-20(18(32)14-23)22(30-16-6-4-3-5-7-16)21(31-17)15-8-10-28-19(12-15)29-11-9-24(25,26)27/h3-8,10,12,30-31H,9,11,13-14H2,1-2H3,(H,28,29)
InChIKeyCURDBKWZRCAQTN-UHFFFAOYSA-N
MW442.49 g/mol
LogP6.34
Rot. Bonds6

About 3-anilino-6,6-dimethyl-2-[2-(3,3,3-trifluoropropylamino)-4-pyridinyl]-5,7-dihydro-1H-indol-4-one

3-anilino-6,6-dimethyl-2-[2-(3,3,3-trifluoropropylamino)-4-pyridinyl]-5,7-dihydro-1H-indol-4-one (PubChem CID 118606703) has the molecular formula C24H25F3N4O and a molecular weight of 442.49 g/mol. Its IUPAC name is 3-anilino-6,6-dimethyl-2-[2-(3,3,3-trifluoropropylamino)-4-pyridinyl]-5,7-dihydro-1H-indol-4-one.

Molecular Properties

Compound Name3-anilino-6,6-dimethyl-2-[2-(3,3,3-trifluoropropylamino)-4-pyridinyl]-5,7-dihydro-1H-indol-4-one
PubChem CID118606703
Molecular FormulaC24H25F3N4O
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name3-anilino-6,6-dimethyl-2-[2-(3,3,3-trifluoropropylamino)-4-pyridinyl]-5,7-dihydro-1H-indol-4-one
SMILESCC1(C)CC(=O)c2c([nH]c(-c3ccnc(NCCC(F)(F)F)c3)c2Nc2ccccc2)C1
InChIInChI=1S/C24H25F3N4O/c1-23(2)13-17-20(18(32)14-23)22(30-16-6-4-3-5-7-16)21(31-17)15-8-10-28-19(12-15)29-11-9-24(25,26)27/h3-8,10,12,30-31H,9,11,13-14H2,1-2H3,(H,28,29)
InChIKeyCURDBKWZRCAQTN-UHFFFAOYSA-N
XLogP6.34
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.49
LogP ≤ 56.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-anilino-6,6-dimethyl-2-[2-(3,3,3-trifluoropropylamino)-4-pyridinyl]-5,7-dihydro-1H-indol-4-one with MolForge

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Related Compounds

7-{[(1r,2s)-2-Aminocyclohexyl]amino}-5-(1h-Indol-7-Ylamino)pyrido[4,3-D]pyrimidin-4(3h)-One
CID 135566923
2-[2-(benzylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267154
2-[2-(phenylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267850
5-{[(2s)-2-Aminopropyl]amino}-3-(1h-Indol-2-Yl)pyrazine-2-Carboxamide
CID 118368188
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide
CID 102532139
6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-N-ethylpyridine-3-carboxamide
CID 118341355
2-(2,6-Difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)pyridin-2-yl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341404
Pyrrolo-pyrimidone, 11
CID 135524107
2-(2,6-Difluorophenyl)-4-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 168284796
[6-(4-Fluoro-phenyl)-1H-indol-3-yl]-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-phenyl]-methanone
CID 10623837
N-[3-(1-Ethyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-fluoro-benzamide
CID 11013959
1-[[(2R)-3,3-dimethylbutan-2-yl]amino]-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23581858

Frequently Asked Questions

What is the IUPAC name of 3-anilino-6,6-dimethyl-2-[2-(3,3,3-trifluoropropylamino)-4-pyridinyl]-5,7-dihydro-1H-indol-4-one?
The IUPAC name of 3-anilino-6,6-dimethyl-2-[2-(3,3,3-trifluoropropylamino)-4-pyridinyl]-5,7-dihydro-1H-indol-4-one (CID 118606703) is 3-anilino-6,6-dimethyl-2-[2-(3,3,3-trifluoropropylamino)-4-pyridinyl]-5,7-dihydro-1H-indol-4-one.
What is the SMILES notation for 3-anilino-6,6-dimethyl-2-[2-(3,3,3-trifluoropropylamino)-4-pyridinyl]-5,7-dihydro-1H-indol-4-one?
The canonical SMILES for 3-anilino-6,6-dimethyl-2-[2-(3,3,3-trifluoropropylamino)-4-pyridinyl]-5,7-dihydro-1H-indol-4-one is CC1(C)CC(=O)c2c([nH]c(-c3ccnc(NCCC(F)(F)F)c3)c2Nc2ccccc2)C1.
What is the InChIKey of 3-anilino-6,6-dimethyl-2-[2-(3,3,3-trifluoropropylamino)-4-pyridinyl]-5,7-dihydro-1H-indol-4-one?
The InChIKey is CURDBKWZRCAQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O/c1-23(2)13-17-20(18(32)14-23)22(30-16-6-4-3-5-7-16)21(31-17)15-8-10-28-19(12-15)29-11-9-24(25,26)27/h3-8,10,12,30-31H,9,11,13-14H2,1-2H3,(H,28,29).
What are the key properties of 3-anilino-6,6-dimethyl-2-[2-(3,3,3-trifluoropropylamino)-4-pyridinyl]-5,7-dihydro-1H-indol-4-one?
3-anilino-6,6-dimethyl-2-[2-(3,3,3-trifluoropropylamino)-4-pyridinyl]-5,7-dihydro-1H-indol-4-one has a molecular weight of 442.49 g/mol, XLogP of 6.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-6,6-dimethyl-2-[2-(3,3,3-trifluoropropylamino)-4-pyridinyl]-5,7-dihydro-1H-indol-4-one is sourced from PubChem (CID 118606703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).