N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;pyrrolidine

C74H83ClN14O6 — CID 158677906

IUPACN-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;pyrrolidine
SMILESC1CCNC1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccnc(NC(=O)CCl)c3)c3ccccc23)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccnc(NC(=O)CN4CCCC4)c3)c3ccccc23)cc1
InChIInChI=1S/C37H41N7O3.C33H33ClN6O3.C4H9N/c1-25-11-13-27(14-12-25)44-34(22-32(42-44)37(2,3)4)41-36(46)39-30-15-16-31(29-10-6-5-9-28(29)30)47-24-26-17-18-38-33(21-26)40-35(45)23-43-19-7-8-20-43;1-21-9-11-23(12-10-21)40-30(18-28(39-40)33(2,3)4)38-32(42)36-26-13-14-27(25-8-6-5-7-24(25)26)43-20-22-15-16-35-29(17-22)37-31(41)19-34;1-2-4-5-3-1/h5-6,9-18,21-22H,7-8,19-20,23-24H2,1-4H3,(H,38,40,45)(H2,39,41,46);5-18H,19-20H2,1-4H3,(H,35,37,41)(H2,36,38,42);5H,1-4H2
InChIKeyIETFHKYFRPKANF-UHFFFAOYSA-N
MW1300.02 g/mol
LogP15.08
Rot. Bonds17

About N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;pyrrolidine

N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;pyrrolidine (PubChem CID 158677906) has the molecular formula C74H83ClN14O6 and a molecular weight of 1300.02 g/mol. Its IUPAC name is N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;pyrrolidine.

Molecular Properties

Compound NameN-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;pyrrolidine
PubChem CID158677906
Molecular FormulaC74H83ClN14O6
Molecular Weight1300.02 g/mol
Exact Mass1298.63
IUPAC NameN-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;pyrrolidine
SMILESC1CCNC1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccnc(NC(=O)CCl)c3)c3ccccc23)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccnc(NC(=O)CN4CCCC4)c3)c3ccccc23)cc1
InChIInChI=1S/C37H41N7O3.C33H33ClN6O3.C4H9N/c1-25-11-13-27(14-12-25)44-34(22-32(42-44)37(2,3)4)41-36(46)39-30-15-16-31(29-10-6-5-9-28(29)30)47-24-26-17-18-38-33(21-26)40-35(45)23-43-19-7-8-20-43;1-21-9-11-23(12-10-21)40-30(18-28(39-40)33(2,3)4)38-32(42)36-26-13-14-27(25-8-6-5-7-24(25)26)43-20-22-15-16-35-29(17-22)37-31(41)19-34;1-2-4-5-3-1/h5-6,9-18,21-22H,7-8,19-20,23-24H2,1-4H3,(H,38,40,45)(H2,39,41,46);5-18H,19-20H2,1-4H3,(H,35,37,41)(H2,36,38,42);5H,1-4H2
InChIKeyIETFHKYFRPKANF-UHFFFAOYSA-N
XLogP15.08
TPSA235.61 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001300.02
LogP ≤ 515.08
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;pyrrolidine with MolForge

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Related Compounds

N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-1-methylpiperidine-4-carboxamide
CID 118885382
N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]morpholine-4-carboxamide
CID 53241899
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[[2-(5,6,7,8-tetrahydroquinoxalin-2-ylamino)-4-pyridinyl]methoxy]naphthalen-1-yl]urea
CID 118317542
N-[4-[[4-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-methoxyacetamide
CID 54589019
tert-butyl 3-[[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]carbamoyl]morpholine-4-carboxylate
CID 58532531
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-piperazin-1-ylethoxy)naphthalen-1-yl]urea
CID 11731102
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-(3-methoxy-4-methylphenyl)pyrazol-5-yl]-3-[4-[[2-(pyrazin-2-ylamino)-4-pyridinyl]methoxy]naphthalen-1-yl]urea
CID 118317575
1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-[[2-[(5-ethylpyrazin-2-yl)amino]-4-pyridinyl]methoxy]naphthalen-1-yl]urea
CID 118317559
tert-butyl N-[4-[2-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-methylpropyl]-2-pyridinyl]carbamate
CID 58416777
5-[[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]amino]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazine-2-carboxamide
CID 118317444
bis((Z)-but-2-enedioic acid);bis(1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[[2-[(6-ethylpyrazin-2-yl)amino]-4-pyridinyl]methoxy]naphthalen-1-yl]urea)
CID 161304236

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;pyrrolidine?
The IUPAC name of N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;pyrrolidine (CID 158677906) is N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;pyrrolidine.
What is the SMILES notation for N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;pyrrolidine?
The canonical SMILES for N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;pyrrolidine is C1CCNC1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccnc(NC(=O)CCl)c3)c3ccccc23)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccnc(NC(=O)CN4CCCC4)c3)c3ccccc23)cc1.
What is the InChIKey of N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;pyrrolidine?
The InChIKey is IETFHKYFRPKANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N7O3.C33H33ClN6O3.C4H9N/c1-25-11-13-27(14-12-25)44-34(22-32(42-44)37(2,3)4)41-36(46)39-30-15-16-31(29-10-6-5-9-28(29)30)47-24-26-17-18-38-33(21-26)40-35(45)23-43-19-7-8-20-43;1-21-9-11-23(12-10-21)40-30(18-28(39-40)33(2,3)4)38-32(42)36-26-13-14-27(25-8-6-5-7-24(25)26)43-20-22-15-16-35-29(17-22)37-31(41)19-34;1-2-4-5-3-1/h5-6,9-18,21-22H,7-8,19-20,23-24H2,1-4H3,(H,38,40,45)(H2,39,41,46);5-18H,19-20H2,1-4H3,(H,35,37,41)(H2,36,38,42);5H,1-4H2.
What are the key properties of N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;pyrrolidine?
N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;pyrrolidine has a molecular weight of 1300.02 g/mol, XLogP of 15.08, 17 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;pyrrolidine is sourced from PubChem (CID 158677906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).