1-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-piperidin-1-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea

C102H117N19O5 — CID 90932971

IUPAC1-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-piperidin-1-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
SMILESCOc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(CN4CCCCC4)nc3)c3ccccc23)cn1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(CN4CCCCC4)nc3)c3ccccc23)cn1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCCCC3)c3ccccc23)cc1
InChIInChI=1S/C35H39N7O2.C35H39N7O.C32H39N5O2/c1-35(2,3)31-20-32(42(40-31)26-14-17-33(44-4)37-22-26)39-34(43)38-30-16-15-27(28-10-6-7-11-29(28)30)24-12-13-25(36-21-24)23-41-18-8-5-9-19-41;1-24-12-15-27(22-36-24)42-33(20-32(40-42)35(2,3)4)39-34(43)38-31-17-16-28(29-10-6-7-11-30(29)31)25-13-14-26(37-21-25)23-41-18-8-5-9-19-41;1-23-12-14-24(15-13-23)37-30(22-29(35-37)32(2,3)4)34-31(38)33-27-16-17-28(26-11-7-6-10-25(26)27)39-21-20-36-18-8-5-9-19-36/h6-7,10-17,20-22H,5,8-9,18-19,23H2,1-4H3,(H2,38,39,43);6-7,10-17,20-22H,5,8-9,18-19,23H2,1-4H3,(H2,38,39,43);6-7,10-17,22H,5,8-9,18-21H2,1-4H3,(H2,33,34,38)
InChIKeyUHAOFGWNBPVLNC-UHFFFAOYSA-N
MW1689.19 g/mol
LogP22.28
Rot. Bonds20

About 1-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-piperidin-1-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea

1-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-piperidin-1-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea (PubChem CID 90932971) has the molecular formula C102H117N19O5 and a molecular weight of 1689.19 g/mol. Its IUPAC name is 1-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-piperidin-1-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea.

Molecular Properties

Compound Name1-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-piperidin-1-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
PubChem CID90932971
Molecular FormulaC102H117N19O5
Molecular Weight1689.19 g/mol
Exact Mass1687.95
IUPAC Name1-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-piperidin-1-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
SMILESCOc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(CN4CCCCC4)nc3)c3ccccc23)cn1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(CN4CCCCC4)nc3)c3ccccc23)cn1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCCCC3)c3ccccc23)cc1
InChIInChI=1S/C35H39N7O2.C35H39N7O.C32H39N5O2/c1-35(2,3)31-20-32(42(40-31)26-14-17-33(44-4)37-22-26)39-34(43)38-30-16-15-27(28-10-6-7-11-29(28)30)24-12-13-25(36-21-24)23-41-18-8-5-9-19-41;1-24-12-15-27(22-36-24)42-33(20-32(40-42)35(2,3)4)39-34(43)38-31-17-16-28(29-10-6-7-11-30(29)31)25-13-14-26(37-21-25)23-41-18-8-5-9-19-41;1-23-12-14-24(15-13-23)37-30(22-29(35-37)32(2,3)4)34-31(38)33-27-16-17-28(26-11-7-6-10-25(26)27)39-21-20-36-18-8-5-9-19-36/h6-7,10-17,20-22H,5,8-9,18-19,23H2,1-4H3,(H2,38,39,43);6-7,10-17,20-22H,5,8-9,18-19,23H2,1-4H3,(H2,38,39,43);6-7,10-17,22H,5,8-9,18-21H2,1-4H3,(H2,33,34,38)
InChIKeyUHAOFGWNBPVLNC-UHFFFAOYSA-N
XLogP22.28
TPSA256.59 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001689.19
LogP ≤ 522.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 1-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-piperidin-1-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]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

Jnj-49095397
CID 45109868
3-[3-tert-butyl-1-(6-methylpyridin-3-yl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea
CID 9936768
3-[3-tert-butyl-1-(6-methoxypyridin-3-yl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea
CID 10165915
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{4-[2-(pyridin-4-yl)ethoxy]naphthalen-1-yl}urea
CID 10229750
1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2-imidazol-1-yl-ethoxy)-naphthalen-1-yl]-urea
CID 10301047
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
CID 46198319
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{4-[2-(pyridin-3-yl)ethoxy]naphthalen-1-yl}urea
CID 11103319
US8933228, Ref 2
CID 46218331
N-(4-((4-(3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ureido)naphthalen-1-yloxy)methyl)pyridin-2-yl)-2-(dimethylamino)acetamide
CID 45254198
1-[3-tert-butyl-1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-4-yl]pyrazol-5-yl]-3-[(1S,4R)-4-[[3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 86346135
1-[3-tert-butyl-1-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazol-5-yl]-3-[(1S,4R)-4-[[3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 86687326
1-[4-[(2-amino-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea
CID 44132690

Frequently Asked Questions

What is the IUPAC name of 1-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-piperidin-1-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?
The IUPAC name of 1-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-piperidin-1-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea (CID 90932971) is 1-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-piperidin-1-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea.
What is the SMILES notation for 1-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-piperidin-1-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?
The canonical SMILES for 1-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-piperidin-1-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea is COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(CN4CCCCC4)nc3)c3ccccc23)cn1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(CN4CCCCC4)nc3)c3ccccc23)cn1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCCCC3)c3ccccc23)cc1.
What is the InChIKey of 1-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-piperidin-1-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?
The InChIKey is UHAOFGWNBPVLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N7O2.C35H39N7O.C32H39N5O2/c1-35(2,3)31-20-32(42(40-31)26-14-17-33(44-4)37-22-26)39-34(43)38-30-16-15-27(28-10-6-7-11-29(28)30)24-12-13-25(36-21-24)23-41-18-8-5-9-19-41;1-24-12-15-27(22-36-24)42-33(20-32(40-42)35(2,3)4)39-34(43)38-31-17-16-28(29-10-6-7-11-30(29)31)25-13-14-26(37-21-25)23-41-18-8-5-9-19-41;1-23-12-14-24(15-13-23)37-30(22-29(35-37)32(2,3)4)34-31(38)33-27-16-17-28(26-11-7-6-10-25(26)27)39-21-20-36-18-8-5-9-19-36/h6-7,10-17,20-22H,5,8-9,18-19,23H2,1-4H3,(H2,38,39,43);6-7,10-17,20-22H,5,8-9,18-19,23H2,1-4H3,(H2,38,39,43);6-7,10-17,22H,5,8-9,18-21H2,1-4H3,(H2,33,34,38).
What are the key properties of 1-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-piperidin-1-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?
1-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-piperidin-1-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea has a molecular weight of 1689.19 g/mol, XLogP of 22.28, 20 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-piperidin-1-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea is sourced from PubChem (CID 90932971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).