1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[6-(pyridin-3-ylamino)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(6-pyridin-3-yloxy-3-pyridinyl)naphthalen-1-yl]urea

C70H65N13O3 — CID 21091550

About 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[6-(pyridin-3-ylamino)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(6-pyridin-3-yloxy-3-pyridinyl)naphthalen-1-yl]urea

1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[6-(pyridin-3-ylamino)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(6-pyridin-3-yloxy-3-pyridinyl)naphthalen-1-yl]urea (PubChem CID 21091550) has the molecular formula C70H65N13O3 and a molecular weight of 1136.38 g/mol. Its IUPAC name is 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[6-(pyridin-3-ylamino)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(6-pyridin-3-yloxy-3-pyridinyl)naphthalen-1-yl]urea.

Molecular Properties

• Compound Name: 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[6-(pyridin-3-ylamino)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(6-pyridin-3-yloxy-3-pyridinyl)naphthalen-1-yl]urea
• PubChem CID: 21091550
• Molecular Formula: C70H65N13O3
• Molecular Weight: 1136.38 g/mol
• Exact Mass: 1135.53
• IUPAC Name: 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[6-(pyridin-3-ylamino)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(6-pyridin-3-yloxy-3-pyridinyl)naphthalen-1-yl]urea
• SMILES: Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(Nc4cccnc4)nc3)c3ccccc23)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(Oc4cccnc4)nc3)c3ccccc23)cc1
• InChI: InChI=1S/C35H33N7O.C35H32N6O2/c1-23-11-14-26(15-12-23)42-33(20-31(41-42)35(2,3)4)40-34(43)39-30-17-16-27(28-9-5-6-10-29(28)30)24-13-18-32(37-21-24)38-25-8-7-19-36-22-25;1-23-11-14-25(15-12-23)41-32(20-31(40-41)35(2,3)4)39-34(42)38-30-17-16-27(28-9-5-6-10-29(28)30)24-13-18-33(37-21-24)43-26-8-7-19-36-22-26/h5-22H,1-4H3,(H,37,38)(H2,39,40,43);5-22H,1-4H3,(H2,38,39,42)
• InChIKey: HMIGOZJXRHHGJE-UHFFFAOYSA-N
• XLogP: 17.00
• TPSA: 190.72 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1136.38
LogP ≤ 5	17.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[6-(pyridin-3-ylamino)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(6-pyridin-3-yloxy-3-pyridinyl)naphthalen-1-yl]urea?

The IUPAC name of 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[6-(pyridin-3-ylamino)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(6-pyridin-3-yloxy-3-pyridinyl)naphthalen-1-yl]urea (CID 21091550) is 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[6-(pyridin-3-ylamino)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(6-pyridin-3-yloxy-3-pyridinyl)naphthalen-1-yl]urea.

What is the SMILES notation for 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[6-(pyridin-3-ylamino)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(6-pyridin-3-yloxy-3-pyridinyl)naphthalen-1-yl]urea?

The canonical SMILES for 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[6-(pyridin-3-ylamino)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(6-pyridin-3-yloxy-3-pyridinyl)naphthalen-1-yl]urea is Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(Nc4cccnc4)nc3)c3ccccc23)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(Oc4cccnc4)nc3)c3ccccc23)cc1.

What is the InChIKey of 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[6-(pyridin-3-ylamino)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(6-pyridin-3-yloxy-3-pyridinyl)naphthalen-1-yl]urea?

The InChIKey is HMIGOZJXRHHGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N7O.C35H32N6O2/c1-23-11-14-26(15-12-23)42-33(20-31(41-42)35(2,3)4)40-34(43)39-30-17-16-27(28-9-5-6-10-29(28)30)24-13-18-32(37-21-24)38-25-8-7-19-36-22-25;1-23-11-14-25(15-12-23)41-32(20-31(40-41)35(2,3)4)39-34(42)38-30-17-16-27(28-9-5-6-10-29(28)30)24-13-18-33(37-21-24)43-26-8-7-19-36-22-26/h5-22H,1-4H3,(H,37,38)(H2,39,40,43);5-22H,1-4H3,(H2,38,39,42).

What are the key properties of 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[6-(pyridin-3-ylamino)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(6-pyridin-3-yloxy-3-pyridinyl)naphthalen-1-yl]urea?

1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[6-(pyridin-3-ylamino)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(6-pyridin-3-yloxy-3-pyridinyl)naphthalen-1-yl]urea has a molecular weight of 1136.38 g/mol, XLogP of 17.00, 12 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[6-(pyridin-3-ylamino)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(6-pyridin-3-yloxy-3-pyridinyl)naphthalen-1-yl]urea is sourced from PubChem (CID 21091550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).