3-[3-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-5-methylphenyl]-2,2-dimethylpropanoic acid

C29H30N4O3 — CID 154975529

IUPAC3-[3-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-5-methylphenyl]-2,2-dimethylpropanoic acid
SMILESCc1cc(CC(C)(C)C(=O)O)cc(Nc2cc(Oc3cn(C4CC4)nc3-c3ccccc3)ccn2)c1
InChIInChI=1S/C29H30N4O3/c1-19-13-20(17-29(2,3)28(34)35)15-22(14-19)31-26-16-24(11-12-30-26)36-25-18-33(23-9-10-23)32-27(25)21-7-5-4-6-8-21/h4-8,11-16,18,23H,9-10,17H2,1-3H3,(H,30,31)(H,34,35)
InChIKeyNYCWRZRUMIYYEU-UHFFFAOYSA-N
MW482.58 g/mol
LogP6.78
Rot. Bonds9

About 3-[3-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-5-methylphenyl]-2,2-dimethylpropanoic acid

3-[3-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-5-methylphenyl]-2,2-dimethylpropanoic acid (PubChem CID 154975529) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 3-[3-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-5-methylphenyl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[3-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-5-methylphenyl]-2,2-dimethylpropanoic acid
PubChem CID154975529
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name3-[3-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-5-methylphenyl]-2,2-dimethylpropanoic acid
SMILESCc1cc(CC(C)(C)C(=O)O)cc(Nc2cc(Oc3cn(C4CC4)nc3-c3ccccc3)ccn2)c1
InChIInChI=1S/C29H30N4O3/c1-19-13-20(17-29(2,3)28(34)35)15-22(14-19)31-26-16-24(11-12-30-26)36-25-18-33(23-9-10-23)32-27(25)21-7-5-4-6-8-21/h4-8,11-16,18,23H,9-10,17H2,1-3H3,(H,30,31)(H,34,35)
InChIKeyNYCWRZRUMIYYEU-UHFFFAOYSA-N
XLogP6.78
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[3-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-5-methylphenyl]-2,2-dimethylpropanoic acid with MolForge

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Related Compounds

2-[3-[[4-(3-cyclobutyl-1-cyclopropylpyrazol-4-yl)oxy-2-pyridinyl]amino]phenyl]-2-methylpropanoic acid
CID 154975369
3-[1-cyclopropyl-4-[[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzonitrile
CID 151105982
2-chloro-4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxypyridine
CID 147277185
2-[3-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]phenyl]-2-methylpropanoic acid
CID 162781480
tert-butyl N-[4-[[2-(3,5-dimethylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate
CID 140750480
2-[3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-5-methylphenyl]-2-methylpropanoic acid
CID 162781520
N-[4-[3-(2-chlorophenyl)-1-cyclopropylpyrazol-4-yl]oxy-2-pyridinyl]-2-morpholin-4-ylpyridin-4-amine
CID 150733617
2-[4-[[4-[1-cyclopropyl-3-[2-fluoro-4-(oxan-4-yl)phenyl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]oxetan-3-ol
CID 175483445
4-[[4-[(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzamide
CID 169196564
1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-[4-[[2-(3-methoxy-5-methylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]urea
CID 145380097
2-[3-[[4-[[2-(cyclopropylamino)-4-phenyl-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]phenyl]propan-2-ol
CID 169196646
2-[4-[[4-[5-methyl-2-(oxan-4-yl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 155450803

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-5-methylphenyl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[3-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-5-methylphenyl]-2,2-dimethylpropanoic acid (CID 154975529) is 3-[3-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-5-methylphenyl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[3-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-5-methylphenyl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[3-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-5-methylphenyl]-2,2-dimethylpropanoic acid is Cc1cc(CC(C)(C)C(=O)O)cc(Nc2cc(Oc3cn(C4CC4)nc3-c3ccccc3)ccn2)c1.
What is the InChIKey of 3-[3-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-5-methylphenyl]-2,2-dimethylpropanoic acid?
The InChIKey is NYCWRZRUMIYYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-19-13-20(17-29(2,3)28(34)35)15-22(14-19)31-26-16-24(11-12-30-26)36-25-18-33(23-9-10-23)32-27(25)21-7-5-4-6-8-21/h4-8,11-16,18,23H,9-10,17H2,1-3H3,(H,30,31)(H,34,35).
What are the key properties of 3-[3-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-5-methylphenyl]-2,2-dimethylpropanoic acid?
3-[3-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-5-methylphenyl]-2,2-dimethylpropanoic acid has a molecular weight of 482.58 g/mol, XLogP of 6.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-5-methylphenyl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 154975529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).