N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C35H37N5O2S — CID 67183631

About N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 67183631) has the molecular formula C35H37N5O2S and a molecular weight of 591.78 g/mol. Its IUPAC name is N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
• PubChem CID: 67183631
• Molecular Formula: C35H37N5O2S
• Molecular Weight: 591.78 g/mol
• Exact Mass: 591.27
• IUPAC Name: N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
• SMILES: Cc1nc(Cn2cc(CN(C(=O)C3CCCc4c(OCc5ccccc5)cccc43)c3ccc(C(C)C)nc3)cn2)cs1
• InChI: InChI=1S/C35H37N5O2S/c1-24(2)33-16-15-29(18-36-33)40(20-27-17-37-39(19-27)21-28-23-43-25(3)38-28)35(41)32-13-7-12-31-30(32)11-8-14-34(31)42-22-26-9-5-4-6-10-26/h4-6,8-11,14-19,23-24,32H,7,12-13,20-22H2,1-3H3
• InChIKey: HLPJYQHSUOUCFG-UHFFFAOYSA-N
• XLogP: 7.45
• TPSA: 73.14 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.78
LogP ≤ 5	7.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?

The IUPAC name of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 67183631) is N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

What is the SMILES notation for N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?

The canonical SMILES for N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is Cc1nc(Cn2cc(CN(C(=O)C3CCCc4c(OCc5ccccc5)cccc43)c3ccc(C(C)C)nc3)cn2)cs1.

What is the InChIKey of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?

The InChIKey is HLPJYQHSUOUCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N5O2S/c1-24(2)33-16-15-29(18-36-33)40(20-27-17-37-39(19-27)21-28-23-43-25(3)38-28)35(41)32-13-7-12-31-30(32)11-8-14-34(31)42-22-26-9-5-4-6-10-26/h4-6,8-11,14-19,23-24,32H,7,12-13,20-22H2,1-3H3.

What are the key properties of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?

N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 591.78 g/mol, XLogP of 7.45, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 67183631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).