2-anilino-5-[5-(2,5,8,11,14,17-hexaoxa-21-azatricyclo[16.8.0.020,25]hexacosa-1(26),18,20,22,24-pentaen-24-yloxy)-2-pyridinyl]-3-methylpyrimidin-4-one

C35H37N5O8 — CID 56644965

IUPAC2-anilino-5-[5-(2,5,8,11,14,17-hexaoxa-21-azatricyclo[16.8.0.020,25]hexacosa-1(26),18,20,22,24-pentaen-24-yloxy)-2-pyridinyl]-3-methylpyrimidin-4-one
SMILESCn1c(Nc2ccccc2)ncc(-c2ccc(Oc3ccnc4cc5c(cc34)OCCOCCOCCOCCOCCO5)cn2)c1=O
InChIInChI=1S/C35H37N5O8/c1-40-34(41)28(24-38-35(40)39-25-5-3-2-4-6-25)29-8-7-26(23-37-29)48-31-9-10-36-30-22-33-32(21-27(30)31)46-19-17-44-15-13-42-11-12-43-14-16-45-18-20-47-33/h2-10,21-24H,11-20H2,1H3,(H,38,39)
InChIKeyYFLARODFKDRFBP-UHFFFAOYSA-N
MW655.71 g/mol
LogP4.76
Rot. Bonds5

About 2-anilino-5-[5-(2,5,8,11,14,17-hexaoxa-21-azatricyclo[16.8.0.020,25]hexacosa-1(26),18,20,22,24-pentaen-24-yloxy)-2-pyridinyl]-3-methylpyrimidin-4-one

2-anilino-5-[5-(2,5,8,11,14,17-hexaoxa-21-azatricyclo[16.8.0.020,25]hexacosa-1(26),18,20,22,24-pentaen-24-yloxy)-2-pyridinyl]-3-methylpyrimidin-4-one (PubChem CID 56644965) has the molecular formula C35H37N5O8 and a molecular weight of 655.71 g/mol. Its IUPAC name is 2-anilino-5-[5-(2,5,8,11,14,17-hexaoxa-21-azatricyclo[16.8.0.020,25]hexacosa-1(26),18,20,22,24-pentaen-24-yloxy)-2-pyridinyl]-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-anilino-5-[5-(2,5,8,11,14,17-hexaoxa-21-azatricyclo[16.8.0.020,25]hexacosa-1(26),18,20,22,24-pentaen-24-yloxy)-2-pyridinyl]-3-methylpyrimidin-4-one
PubChem CID56644965
Molecular FormulaC35H37N5O8
Molecular Weight655.71 g/mol
Exact Mass655.26
IUPAC Name2-anilino-5-[5-(2,5,8,11,14,17-hexaoxa-21-azatricyclo[16.8.0.020,25]hexacosa-1(26),18,20,22,24-pentaen-24-yloxy)-2-pyridinyl]-3-methylpyrimidin-4-one
SMILESCn1c(Nc2ccccc2)ncc(-c2ccc(Oc3ccnc4cc5c(cc34)OCCOCCOCCOCCOCCO5)cn2)c1=O
InChIInChI=1S/C35H37N5O8/c1-40-34(41)28(24-38-35(40)39-25-5-3-2-4-6-25)29-8-7-26(23-37-29)48-31-9-10-36-30-22-33-32(21-27(30)31)46-19-17-44-15-13-42-11-12-43-14-16-45-18-20-47-33/h2-10,21-24H,11-20H2,1H3,(H,38,39)
InChIKeyYFLARODFKDRFBP-UHFFFAOYSA-N
XLogP4.76
TPSA137.31 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.71
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 2-anilino-5-[5-(2,5,8,11,14,17-hexaoxa-21-azatricyclo[16.8.0.020,25]hexacosa-1(26),18,20,22,24-pentaen-24-yloxy)-2-pyridinyl]-3-methylpyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-fluoroanilino)-3-methyl-5-[5-(11,14,17-trioxa-2-azatricyclo[8.7.0.03,8]heptadeca-1(10),2,4,6,8-pentaen-4-yloxy)-2-pyridinyl]pyrimidin-4-one
CID 123556044
N-[4-[[6-(2-anilino-1-methyl-6-oxopyrimidin-5-yl)-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide
CID 24849198
5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-(3-fluoroanilino)-3-methylpyrimidin-4-one
CID 11858025
2-anilino-3-ethyl-5-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]pyrimidin-4-one
CID 24865972
N-[5-([1,3]dioxolo[4,5-g]quinolin-8-yloxy)-2-pyridinyl]-5-(4-methylphenyl)-1-(oxan-4-yl)-4-oxopyridazine-3-carboxamide
CID 139336930
6-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-phenylpyridazin-3-amine
CID 11857506
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]urea
CID 22935472
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline
CID 23022656
2-benzyl-5-[4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1H-pyrimidin-6-one
CID 24864512
5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-methyl-2-(N-methylanilino)pyrimidin-4-one
CID 11858193
4-anilino-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide
CID 67017411
2-(benzylamino)-5-[3-fluoro-4-[2-[4-(morpholine-4-carbonyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-methylpyrimidin-4-one
CID 58949479

Frequently Asked Questions

What is the IUPAC name of 2-anilino-5-[5-(2,5,8,11,14,17-hexaoxa-21-azatricyclo[16.8.0.020,25]hexacosa-1(26),18,20,22,24-pentaen-24-yloxy)-2-pyridinyl]-3-methylpyrimidin-4-one?
The IUPAC name of 2-anilino-5-[5-(2,5,8,11,14,17-hexaoxa-21-azatricyclo[16.8.0.020,25]hexacosa-1(26),18,20,22,24-pentaen-24-yloxy)-2-pyridinyl]-3-methylpyrimidin-4-one (CID 56644965) is 2-anilino-5-[5-(2,5,8,11,14,17-hexaoxa-21-azatricyclo[16.8.0.020,25]hexacosa-1(26),18,20,22,24-pentaen-24-yloxy)-2-pyridinyl]-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-anilino-5-[5-(2,5,8,11,14,17-hexaoxa-21-azatricyclo[16.8.0.020,25]hexacosa-1(26),18,20,22,24-pentaen-24-yloxy)-2-pyridinyl]-3-methylpyrimidin-4-one?
The canonical SMILES for 2-anilino-5-[5-(2,5,8,11,14,17-hexaoxa-21-azatricyclo[16.8.0.020,25]hexacosa-1(26),18,20,22,24-pentaen-24-yloxy)-2-pyridinyl]-3-methylpyrimidin-4-one is Cn1c(Nc2ccccc2)ncc(-c2ccc(Oc3ccnc4cc5c(cc34)OCCOCCOCCOCCOCCO5)cn2)c1=O.
What is the InChIKey of 2-anilino-5-[5-(2,5,8,11,14,17-hexaoxa-21-azatricyclo[16.8.0.020,25]hexacosa-1(26),18,20,22,24-pentaen-24-yloxy)-2-pyridinyl]-3-methylpyrimidin-4-one?
The InChIKey is YFLARODFKDRFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N5O8/c1-40-34(41)28(24-38-35(40)39-25-5-3-2-4-6-25)29-8-7-26(23-37-29)48-31-9-10-36-30-22-33-32(21-27(30)31)46-19-17-44-15-13-42-11-12-43-14-16-45-18-20-47-33/h2-10,21-24H,11-20H2,1H3,(H,38,39).
What are the key properties of 2-anilino-5-[5-(2,5,8,11,14,17-hexaoxa-21-azatricyclo[16.8.0.020,25]hexacosa-1(26),18,20,22,24-pentaen-24-yloxy)-2-pyridinyl]-3-methylpyrimidin-4-one?
2-anilino-5-[5-(2,5,8,11,14,17-hexaoxa-21-azatricyclo[16.8.0.020,25]hexacosa-1(26),18,20,22,24-pentaen-24-yloxy)-2-pyridinyl]-3-methylpyrimidin-4-one has a molecular weight of 655.71 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-5-[5-(2,5,8,11,14,17-hexaoxa-21-azatricyclo[16.8.0.020,25]hexacosa-1(26),18,20,22,24-pentaen-24-yloxy)-2-pyridinyl]-3-methylpyrimidin-4-one is sourced from PubChem (CID 56644965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).