1-[7-[[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone

C27H29N5O4 — CID 167515294

IUPAC1-[7-[[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone
SMILESCOc1cc(C(=O)N2CCOCC2)ccc1Nc1cc(Nc2cccc3c2N(C(C)=O)CC3)ccn1
InChIInChI=1S/C27H29N5O4/c1-18(33)32-11-9-19-4-3-5-23(26(19)32)29-21-8-10-28-25(17-21)30-22-7-6-20(16-24(22)35-2)27(34)31-12-14-36-15-13-31/h3-8,10,16-17H,9,11-15H2,1-2H3,(H2,28,29,30)
InChIKeyUNYVOZTUADRVJE-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.96
Rot. Bonds6

About 1-[7-[[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone

1-[7-[[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 167515294) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is 1-[7-[[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[7-[[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone
PubChem CID167515294
Molecular FormulaC27H29N5O4
Molecular Weight487.56 g/mol
Exact Mass487.22
IUPAC Name1-[7-[[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone
SMILESCOc1cc(C(=O)N2CCOCC2)ccc1Nc1cc(Nc2cccc3c2N(C(C)=O)CC3)ccn1
InChIInChI=1S/C27H29N5O4/c1-18(33)32-11-9-19-4-3-5-23(26(19)32)29-21-8-10-28-25(17-21)30-22-7-6-20(16-24(22)35-2)27(34)31-12-14-36-15-13-31/h3-8,10,16-17H,9,11-15H2,1-2H3,(H2,28,29,30)
InChIKeyUNYVOZTUADRVJE-UHFFFAOYSA-N
XLogP3.96
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[7-[[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

1-[7-[[2-(2-methyl-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone
CID 167515262
1-[7-[[2-(3-ethynylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone
CID 167515237
[3-methoxy-4-[[3-(trifluoromethyl)-4-[3-(trifluoromethyl)anilino]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 142436032
1-[6-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 53014605
1-[7-[(2-chloro-4-pyridinyl)amino]-2,3-dihydroindol-1-yl]-2-methoxyethanone
CID 167515382
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206556
[4-[(4-amino-5-bromopyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 121258187
2-(2,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167991
methyl 3-[[4-(4-acetylpiperazine-1-carbonyl)-2-pyridinyl]amino]benzoate
CID 109169096
3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methoxyanilino)-4-pyridinyl]methanone
CID 109172363
[4-[(5-cyclopropyl-4-methoxypyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 58539186

Frequently Asked Questions

What is the IUPAC name of 1-[7-[[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[7-[[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone (CID 167515294) is 1-[7-[[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[7-[[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[7-[[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone is COc1cc(C(=O)N2CCOCC2)ccc1Nc1cc(Nc2cccc3c2N(C(C)=O)CC3)ccn1.
What is the InChIKey of 1-[7-[[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is UNYVOZTUADRVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4/c1-18(33)32-11-9-19-4-3-5-23(26(19)32)29-21-8-10-28-25(17-21)30-22-7-6-20(16-24(22)35-2)27(34)31-12-14-36-15-13-31/h3-8,10,16-17H,9,11-15H2,1-2H3,(H2,28,29,30).
What are the key properties of 1-[7-[[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone?
1-[7-[[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 487.56 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 167515294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).