(4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one

C27H37N5O2S — CID 159806109

About (4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one

(4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one (PubChem CID 159806109) has the molecular formula C27H37N5O2S and a molecular weight of 495.69 g/mol. Its IUPAC name is (4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one.

Molecular Properties

• Compound Name: (4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one
• PubChem CID: 159806109
• Molecular Formula: C27H37N5O2S
• Molecular Weight: 495.69 g/mol
• Exact Mass: 495.27
• IUPAC Name: (4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one
• SMILES: CC(=O)C[C@@H](CCN1C2CCC1CC(n1c(C)nc3c1CCN(C(=O)C1CC1)C3)C2)c1nccs1
• InChI: InChI=1S/C27H37N5O2S/c1-17(33)13-20(26-28-9-12-35-26)7-11-31-21-5-6-22(31)15-23(14-21)32-18(2)29-24-16-30(10-8-25(24)32)27(34)19-3-4-19/h9,12,19-23H,3-8,10-11,13-16H2,1-2H3/t20-,21?,22?,23?/m1/s1
• InChIKey: NKKKEELYPPPUIU-DDASEGNLSA-N
• XLogP: 4.26
• TPSA: 71.33 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.69
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one?

The IUPAC name of (4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one (CID 159806109) is (4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one.

What is the SMILES notation for (4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one?

The canonical SMILES for (4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one is CC(=O)C[C@@H](CCN1C2CCC1CC(n1c(C)nc3c1CCN(C(=O)C1CC1)C3)C2)c1nccs1.

What is the InChIKey of (4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one?

The InChIKey is NKKKEELYPPPUIU-DDASEGNLSA-N. The full InChI is InChI=1S/C27H37N5O2S/c1-17(33)13-20(26-28-9-12-35-26)7-11-31-21-5-6-22(31)15-23(14-21)32-18(2)29-24-16-30(10-8-25(24)32)27(34)19-3-4-19/h9,12,19-23H,3-8,10-11,13-16H2,1-2H3/t20-,21?,22?,23?/m1/s1.

What are the key properties of (4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one?

(4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one has a molecular weight of 495.69 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one is sourced from PubChem (CID 159806109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).