N-[2-fluoro-5-[[6-[5-fluoro-1-(3-hydroxypropyl)indol-3-yl]pyrimidin-4-yl]amino]-4-methoxyphenyl]propanamide

C25H25F2N5O3 — CID 155232062

IUPACN-[2-fluoro-5-[[6-[5-fluoro-1-(3-hydroxypropyl)indol-3-yl]pyrimidin-4-yl]amino]-4-methoxyphenyl]propanamide
SMILESCCC(=O)Nc1cc(Nc2cc(-c3cn(CCCO)c4ccc(F)cc34)ncn2)c(OC)cc1F
InChIInChI=1S/C25H25F2N5O3/c1-3-25(34)31-20-11-21(23(35-2)10-18(20)27)30-24-12-19(28-14-29-24)17-13-32(7-4-8-33)22-6-5-15(26)9-16(17)22/h5-6,9-14,33H,3-4,7-8H2,1-2H3,(H,31,34)(H,28,29,30)
InChIKeyZWLBMQJOTMUFOC-UHFFFAOYSA-N
MW481.50 g/mol
LogP4.86
Rot. Bonds9

About N-[2-fluoro-5-[[6-[5-fluoro-1-(3-hydroxypropyl)indol-3-yl]pyrimidin-4-yl]amino]-4-methoxyphenyl]propanamide

N-[2-fluoro-5-[[6-[5-fluoro-1-(3-hydroxypropyl)indol-3-yl]pyrimidin-4-yl]amino]-4-methoxyphenyl]propanamide (PubChem CID 155232062) has the molecular formula C25H25F2N5O3 and a molecular weight of 481.50 g/mol. Its IUPAC name is N-[2-fluoro-5-[[6-[5-fluoro-1-(3-hydroxypropyl)indol-3-yl]pyrimidin-4-yl]amino]-4-methoxyphenyl]propanamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[[6-[5-fluoro-1-(3-hydroxypropyl)indol-3-yl]pyrimidin-4-yl]amino]-4-methoxyphenyl]propanamide
PubChem CID155232062
Molecular FormulaC25H25F2N5O3
Molecular Weight481.50 g/mol
Exact Mass481.19
IUPAC NameN-[2-fluoro-5-[[6-[5-fluoro-1-(3-hydroxypropyl)indol-3-yl]pyrimidin-4-yl]amino]-4-methoxyphenyl]propanamide
SMILESCCC(=O)Nc1cc(Nc2cc(-c3cn(CCCO)c4ccc(F)cc34)ncn2)c(OC)cc1F
InChIInChI=1S/C25H25F2N5O3/c1-3-25(34)31-20-11-21(23(35-2)10-18(20)27)30-24-12-19(28-14-29-24)17-13-32(7-4-8-33)22-6-5-15(26)9-16(17)22/h5-6,9-14,33H,3-4,7-8H2,1-2H3,(H,31,34)(H,28,29,30)
InChIKeyZWLBMQJOTMUFOC-UHFFFAOYSA-N
XLogP4.86
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.50
LogP ≤ 54.86
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-[[4-[1-(2-hydroxyethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide
CID 155232243
N-[5-[[6-(5-fluoro-1-propan-2-ylindol-3-yl)pyrimidin-4-yl]amino]-4-methoxy-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]prop-2-enamide
CID 135369274
4-[5-fluoro-1-(3-hydroxypropyl)indol-3-yl]-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione
CID 161095481
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[6-(5-fluoro-1-methylindol-3-yl)pyrimidin-4-yl]amino]-4-formylphenyl]prop-2-enamide
CID 137421458
[2-[6-(5-carbamoyl-2-fluoro-4-methoxyanilino)pyrimidin-4-yl]-4-fluorophenyl]-methylideneoxidanium
CID 137104453
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide
CID 59509149
(E)-N-[5-[[4-(5-fluoro-1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-hydroxyethyl(methyl)amino]-4-methoxyphenyl]but-2-enamide
CID 171103772
N-[4-methoxy-5-[[6-(1-methylindol-3-yl)pyrimidin-4-yl]amino]-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 135369197
N-(2,5-difluoro-4-methoxyphenyl)-4-hydroxybutanamide
CID 115162824
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetamide
CID 59509109
N-(2,4-difluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109359110

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[6-[5-fluoro-1-(3-hydroxypropyl)indol-3-yl]pyrimidin-4-yl]amino]-4-methoxyphenyl]propanamide?
The IUPAC name of N-[2-fluoro-5-[[6-[5-fluoro-1-(3-hydroxypropyl)indol-3-yl]pyrimidin-4-yl]amino]-4-methoxyphenyl]propanamide (CID 155232062) is N-[2-fluoro-5-[[6-[5-fluoro-1-(3-hydroxypropyl)indol-3-yl]pyrimidin-4-yl]amino]-4-methoxyphenyl]propanamide.
What is the SMILES notation for N-[2-fluoro-5-[[6-[5-fluoro-1-(3-hydroxypropyl)indol-3-yl]pyrimidin-4-yl]amino]-4-methoxyphenyl]propanamide?
The canonical SMILES for N-[2-fluoro-5-[[6-[5-fluoro-1-(3-hydroxypropyl)indol-3-yl]pyrimidin-4-yl]amino]-4-methoxyphenyl]propanamide is CCC(=O)Nc1cc(Nc2cc(-c3cn(CCCO)c4ccc(F)cc34)ncn2)c(OC)cc1F.
What is the InChIKey of N-[2-fluoro-5-[[6-[5-fluoro-1-(3-hydroxypropyl)indol-3-yl]pyrimidin-4-yl]amino]-4-methoxyphenyl]propanamide?
The InChIKey is ZWLBMQJOTMUFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O3/c1-3-25(34)31-20-11-21(23(35-2)10-18(20)27)30-24-12-19(28-14-29-24)17-13-32(7-4-8-33)22-6-5-15(26)9-16(17)22/h5-6,9-14,33H,3-4,7-8H2,1-2H3,(H,31,34)(H,28,29,30).
What are the key properties of N-[2-fluoro-5-[[6-[5-fluoro-1-(3-hydroxypropyl)indol-3-yl]pyrimidin-4-yl]amino]-4-methoxyphenyl]propanamide?
N-[2-fluoro-5-[[6-[5-fluoro-1-(3-hydroxypropyl)indol-3-yl]pyrimidin-4-yl]amino]-4-methoxyphenyl]propanamide has a molecular weight of 481.50 g/mol, XLogP of 4.86, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[[6-[5-fluoro-1-(3-hydroxypropyl)indol-3-yl]pyrimidin-4-yl]amino]-4-methoxyphenyl]propanamide is sourced from PubChem (CID 155232062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).