3-[1-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-3-pyridinyl]oxy]ethyl]-N-[(4-methylphenyl)methyl]benzamide

C29H33N5O3 — CID 141482501

IUPAC3-[1-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-3-pyridinyl]oxy]ethyl]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(C(C)Oc3cccnc3Nc3cnn(CC(C)(C)O)c3)c2)cc1
InChIInChI=1S/C29H33N5O3/c1-20-10-12-22(13-11-20)16-31-28(35)24-8-5-7-23(15-24)21(2)37-26-9-6-14-30-27(26)33-25-17-32-34(18-25)19-29(3,4)36/h5-15,17-18,21,36H,16,19H2,1-4H3,(H,30,33)(H,31,35)
InChIKeyUDVVIOLBGGQWRQ-UHFFFAOYSA-N
MW499.62 g/mol
LogP5.17
Rot. Bonds10

About 3-[1-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-3-pyridinyl]oxy]ethyl]-N-[(4-methylphenyl)methyl]benzamide

3-[1-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-3-pyridinyl]oxy]ethyl]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 141482501) has the molecular formula C29H33N5O3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 3-[1-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-3-pyridinyl]oxy]ethyl]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[1-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-3-pyridinyl]oxy]ethyl]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID141482501
Molecular FormulaC29H33N5O3
Molecular Weight499.62 g/mol
Exact Mass499.26
IUPAC Name3-[1-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-3-pyridinyl]oxy]ethyl]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(C(C)Oc3cccnc3Nc3cnn(CC(C)(C)O)c3)c2)cc1
InChIInChI=1S/C29H33N5O3/c1-20-10-12-22(13-11-20)16-31-28(35)24-8-5-7-23(15-24)21(2)37-26-9-6-14-30-27(26)33-25-17-32-34(18-25)19-29(3,4)36/h5-15,17-18,21,36H,16,19H2,1-4H3,(H,30,33)(H,31,35)
InChIKeyUDVVIOLBGGQWRQ-UHFFFAOYSA-N
XLogP5.17
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[1-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-3-pyridinyl]oxy]ethyl]-N-[(4-methylphenyl)methyl]benzamide 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

(10r)-7-Amino-12-Fluoro-1,3,10,16-Tetramethyl-16,17-Dihydro-1h-8,4-(Metheno)pyrazolo[4,3-H][2,5,11]benzoxadiazacyclotetradecin-15(10h)-One
CID 90644193
3-[[4-[1-[6-[4-(Trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]oxybutyl]benzoyl]amino]propanoic acid
CID 68178613
N-cyclopropyl-4-[7-[(4-hydroxycyclohexyl)methylamino]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
CID 90176191
N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 124156596
N-[(3,4-dimethoxyphenyl)methyl]-3-[1-[[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-4-pyridinyl]oxy]ethyl]benzamide
CID 141482487
N-[(3,4-dimethoxyphenyl)methyl]-3-[1-[[2-[(1-piperidin-4-ylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide
CID 141482492
N-[(4-methylphenyl)methyl]-3-[1-[[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-4-pyridinyl]oxy]ethyl]benzamide
CID 145949714
3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 145954622
N-[(3,4-dimethoxyphenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide
CID 145973385
3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]-N-(2-methoxyphenyl)-4-methylbenzamide
CID 155515039
2-[(1R)-1-[[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide
CID 90644194
(16S)-19-amino-13-fluoro-3,5,8,16-tetramethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaen-9-one
CID 90644198

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-3-pyridinyl]oxy]ethyl]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 3-[1-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-3-pyridinyl]oxy]ethyl]-N-[(4-methylphenyl)methyl]benzamide (CID 141482501) is 3-[1-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-3-pyridinyl]oxy]ethyl]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-[1-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-3-pyridinyl]oxy]ethyl]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-[1-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-3-pyridinyl]oxy]ethyl]-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2cccc(C(C)Oc3cccnc3Nc3cnn(CC(C)(C)O)c3)c2)cc1.
What is the InChIKey of 3-[1-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-3-pyridinyl]oxy]ethyl]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is UDVVIOLBGGQWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3/c1-20-10-12-22(13-11-20)16-31-28(35)24-8-5-7-23(15-24)21(2)37-26-9-6-14-30-27(26)33-25-17-32-34(18-25)19-29(3,4)36/h5-15,17-18,21,36H,16,19H2,1-4H3,(H,30,33)(H,31,35).
What are the key properties of 3-[1-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-3-pyridinyl]oxy]ethyl]-N-[(4-methylphenyl)methyl]benzamide?
3-[1-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-3-pyridinyl]oxy]ethyl]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 499.62 g/mol, XLogP of 5.17, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-3-pyridinyl]oxy]ethyl]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 141482501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).