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

C25H26FN5O3 — CID 155232052

IUPACN-[2-fluoro-5-[[4-[1-(3-hydroxypropyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide
SMILESCCC(=O)Nc1cc(Nc2nccc(-c3cn(CCCO)c4ccccc34)n2)c(OC)cc1F
InChIInChI=1S/C25H26FN5O3/c1-3-24(33)28-20-14-21(23(34-2)13-18(20)26)30-25-27-10-9-19(29-25)17-15-31(11-6-12-32)22-8-5-4-7-16(17)22/h4-5,7-10,13-15,32H,3,6,11-12H2,1-2H3,(H,28,33)(H,27,29,30)
InChIKeyYCGRMCDZLOYNKH-UHFFFAOYSA-N
MW463.51 g/mol
LogP4.72
Rot. Bonds9

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

N-[2-fluoro-5-[[4-[1-(3-hydroxypropyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide (PubChem CID 155232052) has the molecular formula C25H26FN5O3 and a molecular weight of 463.51 g/mol. Its IUPAC name is N-[2-fluoro-5-[[4-[1-(3-hydroxypropyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[[4-[1-(3-hydroxypropyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide
PubChem CID155232052
Molecular FormulaC25H26FN5O3
Molecular Weight463.51 g/mol
Exact Mass463.20
IUPAC NameN-[2-fluoro-5-[[4-[1-(3-hydroxypropyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide
SMILESCCC(=O)Nc1cc(Nc2nccc(-c3cn(CCCO)c4ccccc34)n2)c(OC)cc1F
InChIInChI=1S/C25H26FN5O3/c1-3-24(33)28-20-14-21(23(34-2)13-18(20)26)30-25-27-10-9-19(29-25)17-15-31(11-6-12-32)22-8-5-4-7-16(17)22/h4-5,7-10,13-15,32H,3,6,11-12H2,1-2H3,(H,28,33)(H,27,29,30)
InChIKeyYCGRMCDZLOYNKH-UHFFFAOYSA-N
XLogP4.72
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[4-[1-(3-hydroxypropyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide?
The IUPAC name of N-[2-fluoro-5-[[4-[1-(3-hydroxypropyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide (CID 155232052) is N-[2-fluoro-5-[[4-[1-(3-hydroxypropyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide.
What is the SMILES notation for N-[2-fluoro-5-[[4-[1-(3-hydroxypropyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide?
The canonical SMILES for N-[2-fluoro-5-[[4-[1-(3-hydroxypropyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide is CCC(=O)Nc1cc(Nc2nccc(-c3cn(CCCO)c4ccccc34)n2)c(OC)cc1F.
What is the InChIKey of N-[2-fluoro-5-[[4-[1-(3-hydroxypropyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide?
The InChIKey is YCGRMCDZLOYNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O3/c1-3-24(33)28-20-14-21(23(34-2)13-18(20)26)30-25-27-10-9-19(29-25)17-15-31(11-6-12-32)22-8-5-4-7-16(17)22/h4-5,7-10,13-15,32H,3,6,11-12H2,1-2H3,(H,28,33)(H,27,29,30).
What are the key properties of N-[2-fluoro-5-[[4-[1-(3-hydroxypropyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide?
N-[2-fluoro-5-[[4-[1-(3-hydroxypropyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide has a molecular weight of 463.51 g/mol, XLogP of 4.72, 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-[[4-[1-(3-hydroxypropyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]propanamide is sourced from PubChem (CID 155232052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).