1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea

C32H35N5O3 — CID 137423116

IUPAC1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea
SMILESCc1cc(NC(=O)N[C@@H]2c3ccccc3C(C)(C)C[C@H]2O)c(-c2ccccc2)nc1-c1cnc(C(C)(C)O)nc1
InChIInChI=1S/C32H35N5O3/c1-19-15-24(35-30(39)37-28-22-13-9-10-14-23(22)31(2,3)16-25(28)38)27(20-11-7-6-8-12-20)36-26(19)21-17-33-29(34-18-21)32(4,5)40/h6-15,17-18,25,28,38,40H,16H2,1-5H3,(H2,35,37,39)/t25-,28-/m1/s1
InChIKeyXEHQTMLJJIQJJA-LEAFIULHSA-N
MW537.66 g/mol
LogP5.65
Rot. Bonds5

About 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea

1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea (PubChem CID 137423116) has the molecular formula C32H35N5O3 and a molecular weight of 537.66 g/mol. Its IUPAC name is 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea
PubChem CID137423116
Molecular FormulaC32H35N5O3
Molecular Weight537.66 g/mol
Exact Mass537.27
IUPAC Name1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea
SMILESCc1cc(NC(=O)N[C@@H]2c3ccccc3C(C)(C)C[C@H]2O)c(-c2ccccc2)nc1-c1cnc(C(C)(C)O)nc1
InChIInChI=1S/C32H35N5O3/c1-19-15-24(35-30(39)37-28-22-13-9-10-14-23(22)31(2,3)16-25(28)38)27(20-11-7-6-8-12-20)36-26(19)21-17-33-29(34-18-21)32(4,5)40/h6-15,17-18,25,28,38,40H,16H2,1-5H3,(H2,35,37,39)/t25-,28-/m1/s1
InChIKeyXEHQTMLJJIQJJA-LEAFIULHSA-N
XLogP5.65
TPSA120.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.66
LogP ≤ 55.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea 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

US10399945, Example 15
CID 137422939
US10399945, Example 59
CID 137422946
US10399945, Example 44a
CID 137422956
US10399945, Example 17
CID 137422976
1-[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[6-(hydroxymethyl)-3-pyridinyl]-5-methyl-2-phenyl-3-pyridinyl]urea
CID 137422989
US10399945, Example 37a
CID 137422998
US10399945, Example 54
CID 137423021
US10399945, Example 11
CID 137423023
US10399945, Example 38
CID 137423034
US10399945, Example 36
CID 137423098
1-[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(hydroxymethyl)-4-pyridinyl]-5-methyl-2-phenyl-3-pyridinyl]urea
CID 137423110
US10399945, Example 35a
CID 137423111

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea?
The IUPAC name of 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea (CID 137423116) is 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea.
What is the SMILES notation for 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea?
The canonical SMILES for 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea is Cc1cc(NC(=O)N[C@@H]2c3ccccc3C(C)(C)C[C@H]2O)c(-c2ccccc2)nc1-c1cnc(C(C)(C)O)nc1.
What is the InChIKey of 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea?
The InChIKey is XEHQTMLJJIQJJA-LEAFIULHSA-N. The full InChI is InChI=1S/C32H35N5O3/c1-19-15-24(35-30(39)37-28-22-13-9-10-14-23(22)31(2,3)16-25(28)38)27(20-11-7-6-8-12-20)36-26(19)21-17-33-29(34-18-21)32(4,5)40/h6-15,17-18,25,28,38,40H,16H2,1-5H3,(H2,35,37,39)/t25-,28-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea?
1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea has a molecular weight of 537.66 g/mol, XLogP of 5.65, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]urea is sourced from PubChem (CID 137423116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).