N-[2-fluoro-5-[[4-[1-(2-hydroxyethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide

C24H24FN5O3 — CID 155232243

IUPACN-[2-fluoro-5-[[4-[1-(2-hydroxyethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide
SMILESCCC(=O)Nc1cc(Nc2nccc(-c3cn(CCO)c4ccccc34)n2)c(OC)cc1F
InChIInChI=1S/C24H24FN5O3/c1-3-23(32)27-19-13-20(22(33-2)12-17(19)25)29-24-26-9-8-18(28-24)16-14-30(10-11-31)21-7-5-4-6-15(16)21/h4-9,12-14,31H,3,10-11H2,1-2H3,(H,27,32)(H,26,28,29)
InChIKeyYJAJIUQWHLPNJW-UHFFFAOYSA-N
MW449.49 g/mol
LogP4.33
Rot. Bonds8

About N-[2-fluoro-5-[[4-[1-(2-hydroxyethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide

N-[2-fluoro-5-[[4-[1-(2-hydroxyethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide (PubChem CID 155232243) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is N-[2-fluoro-5-[[4-[1-(2-hydroxyethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[[4-[1-(2-hydroxyethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide
PubChem CID155232243
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC NameN-[2-fluoro-5-[[4-[1-(2-hydroxyethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide
SMILESCCC(=O)Nc1cc(Nc2nccc(-c3cn(CCO)c4ccccc34)n2)c(OC)cc1F
InChIInChI=1S/C24H24FN5O3/c1-3-23(32)27-19-13-20(22(33-2)12-17(19)25)29-24-26-9-8-18(28-24)16-14-30(10-11-31)21-7-5-4-6-15(16)21/h4-9,12-14,31H,3,10-11H2,1-2H3,(H,27,32)(H,26,28,29)
InChIKeyYJAJIUQWHLPNJW-UHFFFAOYSA-N
XLogP4.33
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-fluoro-5-[[4-[1-(4-hydroxybutyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide
CID 155232269
N-[2-fluoro-5-[[6-[5-fluoro-1-(3-hydroxypropyl)indol-3-yl]pyrimidin-4-yl]amino]-4-methoxyphenyl]propanamide
CID 155232062
N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-amine
CID 130412923
N-[2-(2-hydroxyethylamino)-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 171103742
N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine;hydrochloride
CID 118704809
3-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]anilino]-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide
CID 169437941
[3-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[1-(hydroxymethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyanilino]-3-oxoprop-1-en-2-yl] methanesulfonate
CID 154631294
5-methoxy-4-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine
CID 129143628
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methoxyindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 137437459
N-[2-[2-(dimethylamino)ethyl-ethylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]buta-2,3-dienamide
CID 176522264
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(trifluoromethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 138705141
2-chloro-N-[2-[3-(dimethylamino)propylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide
CID 175052706

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[4-[1-(2-hydroxyethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide?
The IUPAC name of N-[2-fluoro-5-[[4-[1-(2-hydroxyethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide (CID 155232243) is N-[2-fluoro-5-[[4-[1-(2-hydroxyethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide.
What is the SMILES notation for N-[2-fluoro-5-[[4-[1-(2-hydroxyethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide?
The canonical SMILES for N-[2-fluoro-5-[[4-[1-(2-hydroxyethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide is CCC(=O)Nc1cc(Nc2nccc(-c3cn(CCO)c4ccccc34)n2)c(OC)cc1F.
What is the InChIKey of N-[2-fluoro-5-[[4-[1-(2-hydroxyethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide?
The InChIKey is YJAJIUQWHLPNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-3-23(32)27-19-13-20(22(33-2)12-17(19)25)29-24-26-9-8-18(28-24)16-14-30(10-11-31)21-7-5-4-6-15(16)21/h4-9,12-14,31H,3,10-11H2,1-2H3,(H,27,32)(H,26,28,29).
What are the key properties of N-[2-fluoro-5-[[4-[1-(2-hydroxyethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide?
N-[2-fluoro-5-[[4-[1-(2-hydroxyethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide has a molecular weight of 449.49 g/mol, XLogP of 4.33, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[[4-[1-(2-hydroxyethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide is sourced from PubChem (CID 155232243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).