2-methyl-5-[[6-methyl-5-[[3-[2-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-sulfinoamino]-1,3-thiazole

C34H37N7O5S2 — CID 175023065

About 2-methyl-5-[[6-methyl-5-[[3-[2-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-sulfinoamino]-1,3-thiazole

2-methyl-5-[[6-methyl-5-[[3-[2-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-sulfinoamino]-1,3-thiazole (PubChem CID 175023065) has the molecular formula C34H37N7O5S2 and a molecular weight of 687.85 g/mol. Its IUPAC name is 2-methyl-5-[[6-methyl-5-[[3-[2-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-sulfinoamino]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-methyl-5-[[6-methyl-5-[[3-[2-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-sulfinoamino]-1,3-thiazole
• PubChem CID: 175023065
• Molecular Formula: C34H37N7O5S2
• Molecular Weight: 687.85 g/mol
• Exact Mass: 687.23
• IUPAC Name: 2-methyl-5-[[6-methyl-5-[[3-[2-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-sulfinoamino]-1,3-thiazole
• SMILES: Cc1ncc(N(c2cccc3c(Oc4ncccc4-c4ccnc(N[C@H]5CCCN(C(=O)OC(C)(C)C)C5)n4)c(C)ccc23)S(=O)O)s1
• InChI: InChI=1S/C34H37N7O5S2/c1-21-13-14-24-25(10-6-12-28(24)41(48(43)44)29-19-37-22(2)47-29)30(21)45-31-26(11-7-16-35-31)27-15-17-36-32(39-27)38-23-9-8-18-40(20-23)33(42)46-34(3,4)5/h6-7,10-17,19,23H,8-9,18,20H2,1-5H3,(H,43,44)(H,36,38,39)/t23-/m0/s1
• InChIKey: ATTKRGYHPSVSPB-QHCPKHFHSA-N
• XLogP: 7.64
• TPSA: 142.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	687.85
LogP ≤ 5	7.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[6-methyl-5-[[3-[2-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-sulfinoamino]-1,3-thiazole?

The IUPAC name of 2-methyl-5-[[6-methyl-5-[[3-[2-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-sulfinoamino]-1,3-thiazole (CID 175023065) is 2-methyl-5-[[6-methyl-5-[[3-[2-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-sulfinoamino]-1,3-thiazole.

What is the SMILES notation for 2-methyl-5-[[6-methyl-5-[[3-[2-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-sulfinoamino]-1,3-thiazole?

The canonical SMILES for 2-methyl-5-[[6-methyl-5-[[3-[2-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-sulfinoamino]-1,3-thiazole is Cc1ncc(N(c2cccc3c(Oc4ncccc4-c4ccnc(N[C@H]5CCCN(C(=O)OC(C)(C)C)C5)n4)c(C)ccc23)S(=O)O)s1.

What is the InChIKey of 2-methyl-5-[[6-methyl-5-[[3-[2-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-sulfinoamino]-1,3-thiazole?

The InChIKey is ATTKRGYHPSVSPB-QHCPKHFHSA-N. The full InChI is InChI=1S/C34H37N7O5S2/c1-21-13-14-24-25(10-6-12-28(24)41(48(43)44)29-19-37-22(2)47-29)30(21)45-31-26(11-7-16-35-31)27-15-17-36-32(39-27)38-23-9-8-18-40(20-23)33(42)46-34(3,4)5/h6-7,10-17,19,23H,8-9,18,20H2,1-5H3,(H,43,44)(H,36,38,39)/t23-/m0/s1.

What are the key properties of 2-methyl-5-[[6-methyl-5-[[3-[2-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-sulfinoamino]-1,3-thiazole?

2-methyl-5-[[6-methyl-5-[[3-[2-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-sulfinoamino]-1,3-thiazole has a molecular weight of 687.85 g/mol, XLogP of 7.64, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[[6-methyl-5-[[3-[2-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-sulfinoamino]-1,3-thiazole is sourced from PubChem (CID 175023065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).