methane;(3R)-1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde;(3R)-1-[[6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol

C79H95N15O9Si2 — CID 162000978

About methane;(3R)-1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde;(3R)-1-[[6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol

methane;(3R)-1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde;(3R)-1-[[6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol (PubChem CID 162000978) has the molecular formula C79H95N15O9Si2 and a molecular weight of 1454.90 g/mol. Its IUPAC name is methane;(3R)-1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde;(3R)-1-[[6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: methane;(3R)-1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde;(3R)-1-[[6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol
• PubChem CID: 162000978
• Molecular Formula: C79H95N15O9Si2
• Molecular Weight: 1454.90 g/mol
• Exact Mass: 1453.70
• IUPAC Name: methane;(3R)-1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde;(3R)-1-[[6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol
• SMILES: C.C[Si](C)(C)CCOCn1nccc1-c1cnc(Oc2ccc3cc(C=O)ccc3c2)nc1.C[Si](C)(C)CCOCn1nccc1-c1cnc(Oc2ccc3cc(CN4CC[C@@H](O)C4)ccc3c2)nc1.O[C@@H]1CCN(Cc2ccc3cc(Oc4ncc(-c5ccn[nH]5)cn4)ccc3c2)C1.O[C@@H]1CCNC1
• InChI: InChI=1S/C28H35N5O3Si.C24H26N4O3Si.C22H21N5O2.C4H9NO.CH4/c1-37(2,3)13-12-35-20-33-27(8-10-31-33)24-16-29-28(30-17-24)36-26-7-6-22-14-21(4-5-23(22)15-26)18-32-11-9-25(34)19-32;1-32(2,3)11-10-30-17-28-23(8-9-27-28)21-14-25-24(26-15-21)31-22-7-6-19-12-18(16-29)4-5-20(19)13-22;28-19-6-8-27(14-19)13-15-1-2-17-10-20(4-3-16(17)9-15)29-22-23-11-18(12-24-22)21-5-7-25-26-21;6-4-1-2-5-3-4;/h4-8,10,14-17,25,34H,9,11-13,18-20H2,1-3H3;4-9,12-16H,10-11,17H2,1-3H3;1-5,7,9-12,19,28H,6,8,13-14H2,(H,25,26);4-6H,1-3H2;1H4/t25-;;19-;4-;/m1.11./s1
• InChIKey: YSEZENBNIZYHBX-IXKQDNMQSA-N
• XLogP: 13.93
• TPSA: 284.08 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1454.90
LogP ≤ 5	13.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;(3R)-1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde;(3R)-1-[[6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol?

The IUPAC name of methane;(3R)-1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde;(3R)-1-[[6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol (CID 162000978) is methane;(3R)-1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde;(3R)-1-[[6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol.

What is the SMILES notation for methane;(3R)-1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde;(3R)-1-[[6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol?

The canonical SMILES for methane;(3R)-1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde;(3R)-1-[[6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol is C.C[Si](C)(C)CCOCn1nccc1-c1cnc(Oc2ccc3cc(C=O)ccc3c2)nc1.C[Si](C)(C)CCOCn1nccc1-c1cnc(Oc2ccc3cc(CN4CC[C@@H](O)C4)ccc3c2)nc1.O[C@@H]1CCN(Cc2ccc3cc(Oc4ncc(-c5ccn[nH]5)cn4)ccc3c2)C1.O[C@@H]1CCNC1.

What is the InChIKey of methane;(3R)-1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde;(3R)-1-[[6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol?

The InChIKey is YSEZENBNIZYHBX-IXKQDNMQSA-N. The full InChI is InChI=1S/C28H35N5O3Si.C24H26N4O3Si.C22H21N5O2.C4H9NO.CH4/c1-37(2,3)13-12-35-20-33-27(8-10-31-33)24-16-29-28(30-17-24)36-26-7-6-22-14-21(4-5-23(22)15-26)18-32-11-9-25(34)19-32;1-32(2,3)11-10-30-17-28-23(8-9-27-28)21-14-25-24(26-15-21)31-22-7-6-19-12-18(16-29)4-5-20(19)13-22;28-19-6-8-27(14-19)13-15-1-2-17-10-20(4-3-16(17)9-15)29-22-23-11-18(12-24-22)21-5-7-25-26-21;6-4-1-2-5-3-4;/h4-8,10,14-17,25,34H,9,11-13,18-20H2,1-3H3;4-9,12-16H,10-11,17H2,1-3H3;1-5,7,9-12,19,28H,6,8,13-14H2,(H,25,26);4-6H,1-3H2;1H4/t25-;;19-;4-;/m1.11./s1.

What are the key properties of methane;(3R)-1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde;(3R)-1-[[6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol?

methane;(3R)-1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde;(3R)-1-[[6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol has a molecular weight of 1454.90 g/mol, XLogP of 13.93, 24 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for methane;(3R)-1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde;(3R)-1-[[6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 162000978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).