1-[4-[8-cyclopropyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-a]pyridin-2-yl]-3-fluorophenyl]pyrazole-4-carboxamide

C31H27FN6O2 — CID 156778434

About 1-[4-[8-cyclopropyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-a]pyridin-2-yl]-3-fluorophenyl]pyrazole-4-carboxamide

1-[4-[8-cyclopropyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-a]pyridin-2-yl]-3-fluorophenyl]pyrazole-4-carboxamide (PubChem CID 156778434) has the molecular formula C31H27FN6O2 and a molecular weight of 534.60 g/mol. Its IUPAC name is 1-[4-[8-cyclopropyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-a]pyridin-2-yl]-3-fluorophenyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[4-[8-cyclopropyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-a]pyridin-2-yl]-3-fluorophenyl]pyrazole-4-carboxamide
• PubChem CID: 156778434
• Molecular Formula: C31H27FN6O2
• Molecular Weight: 534.60 g/mol
• Exact Mass: 534.22
• IUPAC Name: 1-[4-[8-cyclopropyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-a]pyridin-2-yl]-3-fluorophenyl]pyrazole-4-carboxamide
• SMILES: C[C@@H]1c2ccccc2CCN1C(=O)c1cc(C2CC2)c2nc(-c3ccc(-n4cc(C(N)=O)cn4)cc3F)cn2c1
• InChI: InChI=1S/C31H27FN6O2/c1-18-24-5-3-2-4-19(24)10-11-37(18)31(40)21-12-26(20-6-7-20)30-35-28(17-36(30)15-21)25-9-8-23(13-27(25)32)38-16-22(14-34-38)29(33)39/h2-5,8-9,12-18,20H,6-7,10-11H2,1H3,(H2,33,39)/t18-/m1/s1
• InChIKey: UHEFFTYBZXQCSG-GOSISDBHSA-N
• XLogP: 5.06
• TPSA: 98.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.60
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[8-cyclopropyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-a]pyridin-2-yl]-3-fluorophenyl]pyrazole-4-carboxamide?

The IUPAC name of 1-[4-[8-cyclopropyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-a]pyridin-2-yl]-3-fluorophenyl]pyrazole-4-carboxamide (CID 156778434) is 1-[4-[8-cyclopropyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-a]pyridin-2-yl]-3-fluorophenyl]pyrazole-4-carboxamide.

What is the SMILES notation for 1-[4-[8-cyclopropyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-a]pyridin-2-yl]-3-fluorophenyl]pyrazole-4-carboxamide?

The canonical SMILES for 1-[4-[8-cyclopropyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-a]pyridin-2-yl]-3-fluorophenyl]pyrazole-4-carboxamide is C[C@@H]1c2ccccc2CCN1C(=O)c1cc(C2CC2)c2nc(-c3ccc(-n4cc(C(N)=O)cn4)cc3F)cn2c1.

What is the InChIKey of 1-[4-[8-cyclopropyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-a]pyridin-2-yl]-3-fluorophenyl]pyrazole-4-carboxamide?

The InChIKey is UHEFFTYBZXQCSG-GOSISDBHSA-N. The full InChI is InChI=1S/C31H27FN6O2/c1-18-24-5-3-2-4-19(24)10-11-37(18)31(40)21-12-26(20-6-7-20)30-35-28(17-36(30)15-21)25-9-8-23(13-27(25)32)38-16-22(14-34-38)29(33)39/h2-5,8-9,12-18,20H,6-7,10-11H2,1H3,(H2,33,39)/t18-/m1/s1.

What are the key properties of 1-[4-[8-cyclopropyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-a]pyridin-2-yl]-3-fluorophenyl]pyrazole-4-carboxamide?

1-[4-[8-cyclopropyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-a]pyridin-2-yl]-3-fluorophenyl]pyrazole-4-carboxamide has a molecular weight of 534.60 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[8-cyclopropyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-a]pyridin-2-yl]-3-fluorophenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 156778434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).