1-[4-[2-(3-amino-4-pyridinyl)ethoxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxyethyl]-3-pyridinyl]-2-methoxyacetamide;2-methoxyacetyl chloride

C70H77ClN12O8 — CID 159681079

IUPAC1-[4-[2-(3-amino-4-pyridinyl)ethoxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxyethyl]-3-pyridinyl]-2-methoxyacetamide;2-methoxyacetyl chloride
SMILESCOCC(=O)Cl.COCC(=O)Nc1cnccc1CCOc1ccc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)c2ccccc12.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3ccncc3N)c3ccccc23)cc1
InChIInChI=1S/C35H38N6O4.C32H34N6O2.C3H5ClO2/c1-23-10-12-25(13-11-23)41-32(20-31(40-41)35(2,3)4)39-34(43)38-28-14-15-30(27-9-7-6-8-26(27)28)45-19-17-24-16-18-36-21-29(24)37-33(42)22-44-5;1-21-9-11-23(12-10-21)38-30(19-29(37-38)32(2,3)4)36-31(39)35-27-13-14-28(25-8-6-5-7-24(25)27)40-18-16-22-15-17-34-20-26(22)33;1-6-2-3(4)5/h6-16,18,20-21H,17,19,22H2,1-5H3,(H,37,42)(H2,38,39,43);5-15,17,19-20H,16,18,33H2,1-4H3,(H2,35,36,39);2H2,1H3
InChIKeyMVFFASCVHIJXGM-UHFFFAOYSA-N
MW1249.91 g/mol
LogP14.15
Rot. Bonds19

About 1-[4-[2-(3-amino-4-pyridinyl)ethoxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxyethyl]-3-pyridinyl]-2-methoxyacetamide;2-methoxyacetyl chloride

1-[4-[2-(3-amino-4-pyridinyl)ethoxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxyethyl]-3-pyridinyl]-2-methoxyacetamide;2-methoxyacetyl chloride (PubChem CID 159681079) has the molecular formula C70H77ClN12O8 and a molecular weight of 1249.91 g/mol. Its IUPAC name is 1-[4-[2-(3-amino-4-pyridinyl)ethoxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxyethyl]-3-pyridinyl]-2-methoxyacetamide;2-methoxyacetyl chloride.

Molecular Properties

Compound Name1-[4-[2-(3-amino-4-pyridinyl)ethoxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxyethyl]-3-pyridinyl]-2-methoxyacetamide;2-methoxyacetyl chloride
PubChem CID159681079
Molecular FormulaC70H77ClN12O8
Molecular Weight1249.91 g/mol
Exact Mass1248.57
IUPAC Name1-[4-[2-(3-amino-4-pyridinyl)ethoxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxyethyl]-3-pyridinyl]-2-methoxyacetamide;2-methoxyacetyl chloride
SMILESCOCC(=O)Cl.COCC(=O)Nc1cnccc1CCOc1ccc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)c2ccccc12.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3ccncc3N)c3ccccc23)cc1
InChIInChI=1S/C35H38N6O4.C32H34N6O2.C3H5ClO2/c1-23-10-12-25(13-11-23)41-32(20-31(40-41)35(2,3)4)39-34(43)38-28-14-15-30(27-9-7-6-8-26(27)28)45-19-17-24-16-18-36-21-29(24)37-33(42)22-44-5;1-21-9-11-23(12-10-21)38-30(19-29(37-38)32(2,3)4)36-31(39)35-27-13-14-28(25-8-6-5-7-24(25)27)40-18-16-22-15-17-34-20-26(22)33;1-6-2-3(4)5/h6-16,18,20-21H,17,19,22H2,1-5H3,(H,37,42)(H2,38,39,43);5-15,17,19-20H,16,18,33H2,1-4H3,(H2,35,36,39);2H2,1H3
InChIKeyMVFFASCVHIJXGM-UHFFFAOYSA-N
XLogP14.15
TPSA252.79 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001249.91
LogP ≤ 514.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 1-[4-[2-(3-amino-4-pyridinyl)ethoxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxyethyl]-3-pyridinyl]-2-methoxyacetamide;2-methoxyacetyl chloride with MolForge

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Related Compounds

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CID 91571219
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CID 46233816
1-[3-tert-butyl-1-(4-sulfanylphenyl)pyrazol-5-yl]-3-[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]urea
CID 70917349
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CID 54589064
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-(1-oxothiophen-3-yl)ethoxy]naphthalen-1-yl]urea
CID 15959476
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CID 11731102
1-[4-[(6-amino-5-ethyl-2-pyridinyl)methoxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea
CID 91405632
N-[4-[[4-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-methoxyacetamide
CID 54589019
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
CID 46198208
N-[5-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-ethylphenyl]-2-hydroxyacetamide
CID 123517658
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[[2-(methylamino)pyrimidin-4-yl]methoxy]naphthalen-1-yl]urea
CID 22379810
1-[3-tert-butyl-1-[4-[(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)methyl]phenyl]pyrazol-5-yl]-3-[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]urea
CID 58760646

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-amino-4-pyridinyl)ethoxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxyethyl]-3-pyridinyl]-2-methoxyacetamide;2-methoxyacetyl chloride?
The IUPAC name of 1-[4-[2-(3-amino-4-pyridinyl)ethoxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxyethyl]-3-pyridinyl]-2-methoxyacetamide;2-methoxyacetyl chloride (CID 159681079) is 1-[4-[2-(3-amino-4-pyridinyl)ethoxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxyethyl]-3-pyridinyl]-2-methoxyacetamide;2-methoxyacetyl chloride.
What is the SMILES notation for 1-[4-[2-(3-amino-4-pyridinyl)ethoxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxyethyl]-3-pyridinyl]-2-methoxyacetamide;2-methoxyacetyl chloride?
The canonical SMILES for 1-[4-[2-(3-amino-4-pyridinyl)ethoxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxyethyl]-3-pyridinyl]-2-methoxyacetamide;2-methoxyacetyl chloride is COCC(=O)Cl.COCC(=O)Nc1cnccc1CCOc1ccc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)c2ccccc12.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3ccncc3N)c3ccccc23)cc1.
What is the InChIKey of 1-[4-[2-(3-amino-4-pyridinyl)ethoxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxyethyl]-3-pyridinyl]-2-methoxyacetamide;2-methoxyacetyl chloride?
The InChIKey is MVFFASCVHIJXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N6O4.C32H34N6O2.C3H5ClO2/c1-23-10-12-25(13-11-23)41-32(20-31(40-41)35(2,3)4)39-34(43)38-28-14-15-30(27-9-7-6-8-26(27)28)45-19-17-24-16-18-36-21-29(24)37-33(42)22-44-5;1-21-9-11-23(12-10-21)38-30(19-29(37-38)32(2,3)4)36-31(39)35-27-13-14-28(25-8-6-5-7-24(25)27)40-18-16-22-15-17-34-20-26(22)33;1-6-2-3(4)5/h6-16,18,20-21H,17,19,22H2,1-5H3,(H,37,42)(H2,38,39,43);5-15,17,19-20H,16,18,33H2,1-4H3,(H2,35,36,39);2H2,1H3.
What are the key properties of 1-[4-[2-(3-amino-4-pyridinyl)ethoxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxyethyl]-3-pyridinyl]-2-methoxyacetamide;2-methoxyacetyl chloride?
1-[4-[2-(3-amino-4-pyridinyl)ethoxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxyethyl]-3-pyridinyl]-2-methoxyacetamide;2-methoxyacetyl chloride has a molecular weight of 1249.91 g/mol, XLogP of 14.15, 19 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-amino-4-pyridinyl)ethoxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxyethyl]-3-pyridinyl]-2-methoxyacetamide;2-methoxyacetyl chloride is sourced from PubChem (CID 159681079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).