6-[(4-anilino-5-fluoropyrimidin-2-yl)amino]-N-(2-morpholin-4-ylethyl)indole-1-carboxamide;ethane

C27H32FN7O2 — CID 91341311

IUPAC6-[(4-anilino-5-fluoropyrimidin-2-yl)amino]-N-(2-morpholin-4-ylethyl)indole-1-carboxamide;ethane
SMILESCC.O=C(NCCN1CCOCC1)n1ccc2ccc(Nc3ncc(F)c(Nc4ccccc4)n3)cc21
InChIInChI=1S/C25H26FN7O2.C2H6/c26-21-17-28-24(31-23(21)29-19-4-2-1-3-5-19)30-20-7-6-18-8-10-33(22(18)16-20)25(34)27-9-11-32-12-14-35-15-13-32;1-2/h1-8,10,16-17H,9,11-15H2,(H,27,34)(H2,28,29,30,31);1-2H3
InChIKeyFSWGMOYFLRFVPW-UHFFFAOYSA-N
MW505.60 g/mol
LogP4.97
Rot. Bonds7

About 6-[(4-anilino-5-fluoropyrimidin-2-yl)amino]-N-(2-morpholin-4-ylethyl)indole-1-carboxamide;ethane

6-[(4-anilino-5-fluoropyrimidin-2-yl)amino]-N-(2-morpholin-4-ylethyl)indole-1-carboxamide;ethane (PubChem CID 91341311) has the molecular formula C27H32FN7O2 and a molecular weight of 505.60 g/mol. Its IUPAC name is 6-[(4-anilino-5-fluoropyrimidin-2-yl)amino]-N-(2-morpholin-4-ylethyl)indole-1-carboxamide;ethane.

Molecular Properties

Compound Name6-[(4-anilino-5-fluoropyrimidin-2-yl)amino]-N-(2-morpholin-4-ylethyl)indole-1-carboxamide;ethane
PubChem CID91341311
Molecular FormulaC27H32FN7O2
Molecular Weight505.60 g/mol
Exact Mass505.26
IUPAC Name6-[(4-anilino-5-fluoropyrimidin-2-yl)amino]-N-(2-morpholin-4-ylethyl)indole-1-carboxamide;ethane
SMILESCC.O=C(NCCN1CCOCC1)n1ccc2ccc(Nc3ncc(F)c(Nc4ccccc4)n3)cc21
InChIInChI=1S/C25H26FN7O2.C2H6/c26-21-17-28-24(31-23(21)29-19-4-2-1-3-5-19)30-20-7-6-18-8-10-33(22(18)16-20)25(34)27-9-11-32-12-14-35-15-13-32;1-2/h1-8,10,16-17H,9,11-15H2,(H,27,34)(H2,28,29,30,31);1-2H3
InChIKeyFSWGMOYFLRFVPW-UHFFFAOYSA-N
XLogP4.97
TPSA96.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(4-anilino-5-fluoropyrimidin-2-yl)amino]-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide;ethane
CID 91558535
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CID 25071615
2-[3-[[5-fluoro-4-(4-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide
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4-(2-anilinopyrimidin-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 97443109
[3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 22060666
N-[3-[[5-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyrimidin-2-yl]amino]phenyl]morpholine-4-carboxamide
CID 46937770
2-chloro-1-[8-[[5-fluoro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
CID 123865305
4-[[2-(4-carboxyanilino)-5-fluoropyrimidin-4-yl]amino]benzoic acid
CID 22060467
3-[[5-fluoro-4-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 68874854
methyl 3-[[5-fluoro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzoate
CID 162721140
N-[3-[[5-fluoro-2-[4-[(1-propylpyrrolidin-3-yl)amino]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 123286315
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-[(4-anilino-5-fluoropyrimidin-2-yl)amino]-N-(2-morpholin-4-ylethyl)indole-1-carboxamide;ethane?
The IUPAC name of 6-[(4-anilino-5-fluoropyrimidin-2-yl)amino]-N-(2-morpholin-4-ylethyl)indole-1-carboxamide;ethane (CID 91341311) is 6-[(4-anilino-5-fluoropyrimidin-2-yl)amino]-N-(2-morpholin-4-ylethyl)indole-1-carboxamide;ethane.
What is the SMILES notation for 6-[(4-anilino-5-fluoropyrimidin-2-yl)amino]-N-(2-morpholin-4-ylethyl)indole-1-carboxamide;ethane?
The canonical SMILES for 6-[(4-anilino-5-fluoropyrimidin-2-yl)amino]-N-(2-morpholin-4-ylethyl)indole-1-carboxamide;ethane is CC.O=C(NCCN1CCOCC1)n1ccc2ccc(Nc3ncc(F)c(Nc4ccccc4)n3)cc21.
What is the InChIKey of 6-[(4-anilino-5-fluoropyrimidin-2-yl)amino]-N-(2-morpholin-4-ylethyl)indole-1-carboxamide;ethane?
The InChIKey is FSWGMOYFLRFVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O2.C2H6/c26-21-17-28-24(31-23(21)29-19-4-2-1-3-5-19)30-20-7-6-18-8-10-33(22(18)16-20)25(34)27-9-11-32-12-14-35-15-13-32;1-2/h1-8,10,16-17H,9,11-15H2,(H,27,34)(H2,28,29,30,31);1-2H3.
What are the key properties of 6-[(4-anilino-5-fluoropyrimidin-2-yl)amino]-N-(2-morpholin-4-ylethyl)indole-1-carboxamide;ethane?
6-[(4-anilino-5-fluoropyrimidin-2-yl)amino]-N-(2-morpholin-4-ylethyl)indole-1-carboxamide;ethane has a molecular weight of 505.60 g/mol, XLogP of 4.97, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-anilino-5-fluoropyrimidin-2-yl)amino]-N-(2-morpholin-4-ylethyl)indole-1-carboxamide;ethane is sourced from PubChem (CID 91341311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).