[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]methanone

C24H19F2N7O2 — CID 169164650

About [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]methanone

[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]methanone (PubChem CID 169164650) has the molecular formula C24H19F2N7O2 and a molecular weight of 475.46 g/mol. Its IUPAC name is [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]methanone.

Molecular Properties

• Compound Name: [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]methanone
• PubChem CID: 169164650
• Molecular Formula: C24H19F2N7O2
• Molecular Weight: 475.46 g/mol
• Exact Mass: 475.16
• IUPAC Name: [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]methanone
• SMILES: O=C(C1=NN=C(c2cnn(C(F)F)c2)C2CC12)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2o1
• InChI: InChI=1S/C24H19F2N7O2/c25-24(26)33-10-13(9-29-33)19-14-8-15(14)20(31-30-19)23(34)32-6-5-16-21(28-11-27-16)22(32)18-7-12-3-1-2-4-17(12)35-18/h1-4,7,9-11,14-15,22,24H,5-6,8H2,(H,27,28)/t14?,15?,22-/m1/s1
• InChIKey: TYQOQBZFSYEQOS-BYHBIXDJSA-N
• XLogP: 3.72
• TPSA: 104.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.46
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]methanone?

The IUPAC name of [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]methanone (CID 169164650) is [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]methanone.

What is the SMILES notation for [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]methanone?

The canonical SMILES for [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]methanone is O=C(C1=NN=C(c2cnn(C(F)F)c2)C2CC12)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2o1.

What is the InChIKey of [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]methanone?

The InChIKey is TYQOQBZFSYEQOS-BYHBIXDJSA-N. The full InChI is InChI=1S/C24H19F2N7O2/c25-24(26)33-10-13(9-29-33)19-14-8-15(14)20(31-30-19)23(34)32-6-5-16-21(28-11-27-16)22(32)18-7-12-3-1-2-4-17(12)35-18/h1-4,7,9-11,14-15,22,24H,5-6,8H2,(H,27,28)/t14?,15?,22-/m1/s1.

What are the key properties of [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]methanone?

[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]methanone has a molecular weight of 475.46 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]methanone is sourced from PubChem (CID 169164650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).