1-(3-cyclopentyloxy-4-methoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid

C61H62N8O8 — CID 161246403

IUPAC1-(3-cyclopentyloxy-4-methoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid
SMILESCOc1ccc(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc1OC1CCCC1.O=C(Nc1cccc(C(=O)O)c1)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12
InChIInChI=1S/C33H36N4O4.C28H26N4O4/c1-39-31-15-12-24(20-32(31)41-26-6-2-3-7-26)35-33(38)36-30-14-13-27(28-8-4-5-9-29(28)30)23-10-11-25(34-21-23)22-37-16-18-40-19-17-37;33-27(34)19-4-3-5-21(16-19)30-28(35)31-26-11-10-23(24-6-1-2-7-25(24)26)20-8-9-22(29-17-20)18-32-12-14-36-15-13-32/h4-5,8-15,20-21,26H,2-3,6-7,16-19,22H2,1H3,(H2,35,36,38);1-11,16-17H,12-15,18H2,(H,33,34)(H2,30,31,35)
InChIKeyVARSIGVHMZCRLR-UHFFFAOYSA-N
MW1035.22 g/mol
LogP11.78
Rot. Bonds14

About 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid

1-(3-cyclopentyloxy-4-methoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid (PubChem CID 161246403) has the molecular formula C61H62N8O8 and a molecular weight of 1035.22 g/mol. Its IUPAC name is 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid.

Molecular Properties

Compound Name1-(3-cyclopentyloxy-4-methoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid
PubChem CID161246403
Molecular FormulaC61H62N8O8
Molecular Weight1035.22 g/mol
Exact Mass1034.47
IUPAC Name1-(3-cyclopentyloxy-4-methoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid
SMILESCOc1ccc(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc1OC1CCCC1.O=C(Nc1cccc(C(=O)O)c1)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12
InChIInChI=1S/C33H36N4O4.C28H26N4O4/c1-39-31-15-12-24(20-32(31)41-26-6-2-3-7-26)35-33(38)36-30-14-13-27(28-8-4-5-9-29(28)30)23-10-11-25(34-21-23)22-37-16-18-40-19-17-37;33-27(34)19-4-3-5-21(16-19)30-28(35)31-26-11-10-23(24-6-1-2-7-25(24)26)20-8-9-22(29-17-20)18-32-12-14-36-15-13-32/h4-5,8-15,20-21,26H,2-3,6-7,16-19,22H2,1H3,(H2,35,36,38);1-11,16-17H,12-15,18H2,(H,33,34)(H2,30,31,35)
InChIKeyVARSIGVHMZCRLR-UHFFFAOYSA-N
XLogP11.78
TPSA188.74 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001035.22
LogP ≤ 511.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid with MolForge

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Related Compounds

4-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid
CID 22217980
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 22217837
1-(2,3-difluoro-4-methoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 174370055
3-ethoxycarbonyl-5-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid
CID 68908757
1-(3,4-dimethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-iodophenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 160763698
1-(2-methoxy-4-nitrophenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 22217909
1-(2-ethoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-ethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 162244090
1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-(2,4,5-trimethylphenyl)urea
CID 22217789
[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl] methyl carbonate
CID 10188874
1-(2,5-diethoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 22218068
1-(4-cyanophenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 22217756
methyl 2-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]acetate
CID 10188833

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid?
The IUPAC name of 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid (CID 161246403) is 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid.
What is the SMILES notation for 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid?
The canonical SMILES for 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid is COc1ccc(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc1OC1CCCC1.O=C(Nc1cccc(C(=O)O)c1)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.
What is the InChIKey of 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid?
The InChIKey is VARSIGVHMZCRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O4.C28H26N4O4/c1-39-31-15-12-24(20-32(31)41-26-6-2-3-7-26)35-33(38)36-30-14-13-27(28-8-4-5-9-29(28)30)23-10-11-25(34-21-23)22-37-16-18-40-19-17-37;33-27(34)19-4-3-5-21(16-19)30-28(35)31-26-11-10-23(24-6-1-2-7-25(24)26)20-8-9-22(29-17-20)18-32-12-14-36-15-13-32/h4-5,8-15,20-21,26H,2-3,6-7,16-19,22H2,1H3,(H2,35,36,38);1-11,16-17H,12-15,18H2,(H,33,34)(H2,30,31,35).
What are the key properties of 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid?
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid has a molecular weight of 1035.22 g/mol, XLogP of 11.78, 14 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid is sourced from PubChem (CID 161246403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).