2-[5-[1-(cyclohexylmethyl)-5-methylpyrazol-4-yl]-6-propan-2-yl-2-pyridinyl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide

C35H39N7OS — CID 167519640

About 2-[5-[1-(cyclohexylmethyl)-5-methylpyrazol-4-yl]-6-propan-2-yl-2-pyridinyl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide

2-[5-[1-(cyclohexylmethyl)-5-methylpyrazol-4-yl]-6-propan-2-yl-2-pyridinyl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide (PubChem CID 167519640) has the molecular formula C35H39N7OS and a molecular weight of 605.81 g/mol. Its IUPAC name is 2-[5-[1-(cyclohexylmethyl)-5-methylpyrazol-4-yl]-6-propan-2-yl-2-pyridinyl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide.

Molecular Properties

• Compound Name: 2-[5-[1-(cyclohexylmethyl)-5-methylpyrazol-4-yl]-6-propan-2-yl-2-pyridinyl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide
• PubChem CID: 167519640
• Molecular Formula: C35H39N7OS
• Molecular Weight: 605.81 g/mol
• Exact Mass: 605.29
• IUPAC Name: 2-[5-[1-(cyclohexylmethyl)-5-methylpyrazol-4-yl]-6-propan-2-yl-2-pyridinyl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide
• SMILES: Cc1c(-c2ccc(N3CCc4cccc(C(=O)Nc5nc6cccnc6s5)c4C3)nc2C(C)C)cnn1CC1CCCCC1
• InChI: InChI=1S/C35H39N7OS/c1-22(2)32-26(28-19-37-42(23(28)3)20-24-9-5-4-6-10-24)14-15-31(39-32)41-18-16-25-11-7-12-27(29(25)21-41)33(43)40-35-38-30-13-8-17-36-34(30)44-35/h7-8,11-15,17,19,22,24H,4-6,9-10,16,18,20-21H2,1-3H3,(H,38,40,43)
• InChIKey: QWIFMCFXHVXEHK-UHFFFAOYSA-N
• XLogP: 7.78
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.81
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(cyclohexylmethyl)-5-methylpyrazol-4-yl]-6-propan-2-yl-2-pyridinyl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide?

The IUPAC name of 2-[5-[1-(cyclohexylmethyl)-5-methylpyrazol-4-yl]-6-propan-2-yl-2-pyridinyl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide (CID 167519640) is 2-[5-[1-(cyclohexylmethyl)-5-methylpyrazol-4-yl]-6-propan-2-yl-2-pyridinyl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide.

What is the SMILES notation for 2-[5-[1-(cyclohexylmethyl)-5-methylpyrazol-4-yl]-6-propan-2-yl-2-pyridinyl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide?

The canonical SMILES for 2-[5-[1-(cyclohexylmethyl)-5-methylpyrazol-4-yl]-6-propan-2-yl-2-pyridinyl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide is Cc1c(-c2ccc(N3CCc4cccc(C(=O)Nc5nc6cccnc6s5)c4C3)nc2C(C)C)cnn1CC1CCCCC1.

What is the InChIKey of 2-[5-[1-(cyclohexylmethyl)-5-methylpyrazol-4-yl]-6-propan-2-yl-2-pyridinyl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide?

The InChIKey is QWIFMCFXHVXEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N7OS/c1-22(2)32-26(28-19-37-42(23(28)3)20-24-9-5-4-6-10-24)14-15-31(39-32)41-18-16-25-11-7-12-27(29(25)21-41)33(43)40-35-38-30-13-8-17-36-34(30)44-35/h7-8,11-15,17,19,22,24H,4-6,9-10,16,18,20-21H2,1-3H3,(H,38,40,43).

What are the key properties of 2-[5-[1-(cyclohexylmethyl)-5-methylpyrazol-4-yl]-6-propan-2-yl-2-pyridinyl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide?

2-[5-[1-(cyclohexylmethyl)-5-methylpyrazol-4-yl]-6-propan-2-yl-2-pyridinyl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide has a molecular weight of 605.81 g/mol, XLogP of 7.78, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[1-(cyclohexylmethyl)-5-methylpyrazol-4-yl]-6-propan-2-yl-2-pyridinyl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide is sourced from PubChem (CID 167519640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).