N-[4-[3-(4-fluoroanilino)-4-oxo-6-propan-2-yl-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide

C26H27FN4O2 — CID 118606761

IUPACN-[4-[3-(4-fluoroanilino)-4-oxo-6-propan-2-yl-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCC(C)C1CC(=O)c2c([nH]c(-c3ccnc(NC(=O)C4CC4)c3)c2Nc2ccc(F)cc2)C1
InChIInChI=1S/C26H27FN4O2/c1-14(2)17-11-20-23(21(32)12-17)25(29-19-7-5-18(27)6-8-19)24(30-20)16-9-10-28-22(13-16)31-26(33)15-3-4-15/h5-10,13-15,17,29-30H,3-4,11-12H2,1-2H3,(H,28,31,33)
InChIKeyWOULXISCQHWNNR-UHFFFAOYSA-N
MW446.53 g/mol
LogP5.71
Rot. Bonds6

About N-[4-[3-(4-fluoroanilino)-4-oxo-6-propan-2-yl-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[3-(4-fluoroanilino)-4-oxo-6-propan-2-yl-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 118606761) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[4-[3-(4-fluoroanilino)-4-oxo-6-propan-2-yl-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[3-(4-fluoroanilino)-4-oxo-6-propan-2-yl-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID118606761
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC NameN-[4-[3-(4-fluoroanilino)-4-oxo-6-propan-2-yl-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCC(C)C1CC(=O)c2c([nH]c(-c3ccnc(NC(=O)C4CC4)c3)c2Nc2ccc(F)cc2)C1
InChIInChI=1S/C26H27FN4O2/c1-14(2)17-11-20-23(21(32)12-17)25(29-19-7-5-18(27)6-8-19)24(30-20)16-9-10-28-22(13-16)31-26(33)15-3-4-15/h5-10,13-15,17,29-30H,3-4,11-12H2,1-2H3,(H,28,31,33)
InChIKeyWOULXISCQHWNNR-UHFFFAOYSA-N
XLogP5.71
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.53
LogP ≤ 55.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-fluorophenyl)-N-[2-[methyl(propan-2-yl)amino]-3H-benzimidazol-5-yl]pyridine-3-carboxamide
CID 9978508
2-(2-aminopyrimidin-4-yl)-7-phenyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11210036
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
2-{2-[(cyclohexylmethyl)amino]pyrimidin-4-yl}-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11347930
N-(4-{4-oxo-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-2-yl}pyrimidin-2-yl)benzamide
CID 11404817
Pyrrolo-pyrimidone, 12
CID 135524115
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-(2-pyridyl)-1H-indole-7-carboxamide
CID 507860
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-imidazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione
CID 507893
2-(2,6-Difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341329
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-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341365

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-fluoroanilino)-4-oxo-6-propan-2-yl-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[3-(4-fluoroanilino)-4-oxo-6-propan-2-yl-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide (CID 118606761) is N-[4-[3-(4-fluoroanilino)-4-oxo-6-propan-2-yl-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[3-(4-fluoroanilino)-4-oxo-6-propan-2-yl-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[3-(4-fluoroanilino)-4-oxo-6-propan-2-yl-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide is CC(C)C1CC(=O)c2c([nH]c(-c3ccnc(NC(=O)C4CC4)c3)c2Nc2ccc(F)cc2)C1.
What is the InChIKey of N-[4-[3-(4-fluoroanilino)-4-oxo-6-propan-2-yl-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is WOULXISCQHWNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2/c1-14(2)17-11-20-23(21(32)12-17)25(29-19-7-5-18(27)6-8-19)24(30-20)16-9-10-28-22(13-16)31-26(33)15-3-4-15/h5-10,13-15,17,29-30H,3-4,11-12H2,1-2H3,(H,28,31,33).
What are the key properties of N-[4-[3-(4-fluoroanilino)-4-oxo-6-propan-2-yl-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[3-(4-fluoroanilino)-4-oxo-6-propan-2-yl-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 446.53 g/mol, XLogP of 5.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-fluoroanilino)-4-oxo-6-propan-2-yl-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 118606761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).