15-[(3R)-3-(4-methoxyphenyl)-2-naphthalen-2-yl-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one

C38H26N4O2 — CID 98126124

About 15-[(3R)-3-(4-methoxyphenyl)-2-naphthalen-2-yl-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one

15-[(3R)-3-(4-methoxyphenyl)-2-naphthalen-2-yl-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one (PubChem CID 98126124) has the molecular formula C38H26N4O2 and a molecular weight of 570.65 g/mol. Its IUPAC name is 15-[(3R)-3-(4-methoxyphenyl)-2-naphthalen-2-yl-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one.

Molecular Properties

• Compound Name: 15-[(3R)-3-(4-methoxyphenyl)-2-naphthalen-2-yl-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one
• PubChem CID: 98126124
• Molecular Formula: C38H26N4O2
• Molecular Weight: 570.65 g/mol
• Exact Mass: 570.21
• IUPAC Name: 15-[(3R)-3-(4-methoxyphenyl)-2-naphthalen-2-yl-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one
• SMILES: COc1ccc([C@H]2CC(c3ccc4c(=O)n5c6ccccc6nc5c5cccc3c45)=NN2c2ccc3ccccc3c2)cc1
• InChI: InChI=1S/C38H26N4O2/c1-44-27-17-14-24(15-18-27)35-22-33(40-42(35)26-16-13-23-7-2-3-8-25(23)21-26)28-19-20-31-36-29(28)9-6-10-30(36)37-39-32-11-4-5-12-34(32)41(37)38(31)43/h2-21,35H,22H2,1H3/t35-/m1/s1
• InChIKey: NRJWLWMYNPVLGP-PGUFJCEWSA-N
• XLogP: 8.11
• TPSA: 59.20 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.65
LogP ≤ 5	8.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 15-[(3R)-3-(4-methoxyphenyl)-2-naphthalen-2-yl-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one?

The IUPAC name of 15-[(3R)-3-(4-methoxyphenyl)-2-naphthalen-2-yl-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one (CID 98126124) is 15-[(3R)-3-(4-methoxyphenyl)-2-naphthalen-2-yl-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one.

What is the SMILES notation for 15-[(3R)-3-(4-methoxyphenyl)-2-naphthalen-2-yl-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one?

The canonical SMILES for 15-[(3R)-3-(4-methoxyphenyl)-2-naphthalen-2-yl-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one is COc1ccc([C@H]2CC(c3ccc4c(=O)n5c6ccccc6nc5c5cccc3c45)=NN2c2ccc3ccccc3c2)cc1.

What is the InChIKey of 15-[(3R)-3-(4-methoxyphenyl)-2-naphthalen-2-yl-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one?

The InChIKey is NRJWLWMYNPVLGP-PGUFJCEWSA-N. The full InChI is InChI=1S/C38H26N4O2/c1-44-27-17-14-24(15-18-27)35-22-33(40-42(35)26-16-13-23-7-2-3-8-25(23)21-26)28-19-20-31-36-29(28)9-6-10-30(36)37-39-32-11-4-5-12-34(32)41(37)38(31)43/h2-21,35H,22H2,1H3/t35-/m1/s1.

What are the key properties of 15-[(3R)-3-(4-methoxyphenyl)-2-naphthalen-2-yl-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one?

15-[(3R)-3-(4-methoxyphenyl)-2-naphthalen-2-yl-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one has a molecular weight of 570.65 g/mol, XLogP of 8.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[(3R)-3-(4-methoxyphenyl)-2-naphthalen-2-yl-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one is sourced from PubChem (CID 98126124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).