1-[7-[[2-(2-methyl-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone

C26H29N5O2 — CID 167515262

IUPAC1-[7-[[2-(2-methyl-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cccc(Nc3ccnc(Nc4ccc(N5CCOCC5)cc4C)c3)c21
InChIInChI=1S/C26H29N5O2/c1-18-16-22(30-12-14-33-15-13-30)6-7-23(18)29-25-17-21(8-10-27-25)28-24-5-3-4-20-9-11-31(19(2)32)26(20)24/h3-8,10,16-17H,9,11-15H2,1-2H3,(H2,27,28,29)
InChIKeyRIHWWTRZCBCMGT-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.62
Rot. Bonds5

About 1-[7-[[2-(2-methyl-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone

1-[7-[[2-(2-methyl-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 167515262) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 1-[7-[[2-(2-methyl-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[7-[[2-(2-methyl-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone
PubChem CID167515262
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name1-[7-[[2-(2-methyl-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cccc(Nc3ccnc(Nc4ccc(N5CCOCC5)cc4C)c3)c21
InChIInChI=1S/C26H29N5O2/c1-18-16-22(30-12-14-33-15-13-30)6-7-23(18)29-25-17-21(8-10-27-25)28-24-5-3-4-20-9-11-31(19(2)32)26(20)24/h3-8,10,16-17H,9,11-15H2,1-2H3,(H2,27,28,29)
InChIKeyRIHWWTRZCBCMGT-UHFFFAOYSA-N
XLogP4.62
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[[2-(2-methyl-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[7-[[2-(2-methyl-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone (CID 167515262) is 1-[7-[[2-(2-methyl-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[7-[[2-(2-methyl-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[7-[[2-(2-methyl-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cccc(Nc3ccnc(Nc4ccc(N5CCOCC5)cc4C)c3)c21.
What is the InChIKey of 1-[7-[[2-(2-methyl-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is RIHWWTRZCBCMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-18-16-22(30-12-14-33-15-13-30)6-7-23(18)29-25-17-21(8-10-27-25)28-24-5-3-4-20-9-11-31(19(2)32)26(20)24/h3-8,10,16-17H,9,11-15H2,1-2H3,(H2,27,28,29).
What are the key properties of 1-[7-[[2-(2-methyl-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone?
1-[7-[[2-(2-methyl-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 443.55 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[[2-(2-methyl-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 167515262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).