N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide

C25H24F2N4O2 — CID 118606749

IUPACN-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide
SMILESCC1(C)CC(=O)c2c([nH]c(-c3ccnc(NC(=O)C4CC4(F)F)c3)c2Nc2ccccc2)C1
InChIInChI=1S/C25H24F2N4O2/c1-24(2)12-17-20(18(32)13-24)22(29-15-6-4-3-5-7-15)21(30-17)14-8-9-28-19(10-14)31-23(33)16-11-25(16,26)27/h3-10,16,29-30H,11-13H2,1-2H3,(H,28,31,33)
InChIKeyRDEZDWSKWRRYHR-UHFFFAOYSA-N
MW450.49 g/mol
LogP5.57
Rot. Bonds5

About N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide

N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 118606749) has the molecular formula C25H24F2N4O2 and a molecular weight of 450.49 g/mol. Its IUPAC name is N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide
PubChem CID118606749
Molecular FormulaC25H24F2N4O2
Molecular Weight450.49 g/mol
Exact Mass450.19
IUPAC NameN-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide
SMILESCC1(C)CC(=O)c2c([nH]c(-c3ccnc(NC(=O)C4CC4(F)F)c3)c2Nc2ccccc2)C1
InChIInChI=1S/C25H24F2N4O2/c1-24(2)12-17-20(18(32)13-24)22(29-15-6-4-3-5-7-15)21(30-17)14-8-9-28-19(10-14)31-23(33)16-11-25(16,26)27/h3-10,16,29-30H,11-13H2,1-2H3,(H,28,31,33)
InChIKeyRDEZDWSKWRRYHR-UHFFFAOYSA-N
XLogP5.57
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.49
LogP ≤ 55.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide with MolForge

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Related Compounds

N-(4-{4-oxo-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-2-yl}pyrimidin-2-yl)benzamide
CID 11404817
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
4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide
CID 10020895
4-Fluoro-N-[3-(1-isopropyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide
CID 10861816
4-Fluoro-N-[3-(1-phenethyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide
CID 10873909
4-Fluoro-N-[3-(1-propyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide
CID 10959868
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
4-Methyl-N-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide
CID 11068036
N-[3-(1-Butyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-fluoro-benzamide
CID 11069268

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide (CID 118606749) is N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide is CC1(C)CC(=O)c2c([nH]c(-c3ccnc(NC(=O)C4CC4(F)F)c3)c2Nc2ccccc2)C1.
What is the InChIKey of N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is RDEZDWSKWRRYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O2/c1-24(2)12-17-20(18(32)13-24)22(29-15-6-4-3-5-7-15)21(30-17)14-8-9-28-19(10-14)31-23(33)16-11-25(16,26)27/h3-10,16,29-30H,11-13H2,1-2H3,(H,28,31,33).
What are the key properties of N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide?
N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 450.49 g/mol, XLogP of 5.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 118606749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).