(1R)-2-[5-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-6-fluoro-2-pyridinyl]cyclopropane-1-carboxamide

C29H27FN6O2 — CID 155642298

About (1R)-2-[5-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-6-fluoro-2-pyridinyl]cyclopropane-1-carboxamide

(1R)-2-[5-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-6-fluoro-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 155642298) has the molecular formula C29H27FN6O2 and a molecular weight of 510.57 g/mol. Its IUPAC name is (1R)-2-[5-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-6-fluoro-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: (1R)-2-[5-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-6-fluoro-2-pyridinyl]cyclopropane-1-carboxamide
• PubChem CID: 155642298
• Molecular Formula: C29H27FN6O2
• Molecular Weight: 510.57 g/mol
• Exact Mass: 510.22
• IUPAC Name: (1R)-2-[5-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-6-fluoro-2-pyridinyl]cyclopropane-1-carboxamide
• SMILES: C[C@@H]1c2ccccc2CCN1C(=O)c1cc(C2CC2)n2nc(-c3ccc(C4C[C@H]4C(N)=O)nc3F)cc2n1
• InChI: InChI=1S/C29H27FN6O2/c1-15-18-5-3-2-4-16(18)10-11-35(15)29(38)24-13-25(17-6-7-17)36-26(32-24)14-23(34-36)19-8-9-22(33-27(19)30)20-12-21(20)28(31)37/h2-5,8-9,13-15,17,20-21H,6-7,10-12H2,1H3,(H2,31,37)/t15-,20?,21-/m1/s1
• InChIKey: CHRZMRNUSCEKTH-SSKADXOYSA-N
• XLogP: 4.16
• TPSA: 106.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.57
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[5-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-6-fluoro-2-pyridinyl]cyclopropane-1-carboxamide?

The IUPAC name of (1R)-2-[5-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-6-fluoro-2-pyridinyl]cyclopropane-1-carboxamide (CID 155642298) is (1R)-2-[5-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-6-fluoro-2-pyridinyl]cyclopropane-1-carboxamide.

What is the SMILES notation for (1R)-2-[5-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-6-fluoro-2-pyridinyl]cyclopropane-1-carboxamide?

The canonical SMILES for (1R)-2-[5-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-6-fluoro-2-pyridinyl]cyclopropane-1-carboxamide is C[C@@H]1c2ccccc2CCN1C(=O)c1cc(C2CC2)n2nc(-c3ccc(C4C[C@H]4C(N)=O)nc3F)cc2n1.

What is the InChIKey of (1R)-2-[5-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-6-fluoro-2-pyridinyl]cyclopropane-1-carboxamide?

The InChIKey is CHRZMRNUSCEKTH-SSKADXOYSA-N. The full InChI is InChI=1S/C29H27FN6O2/c1-15-18-5-3-2-4-16(18)10-11-35(15)29(38)24-13-25(17-6-7-17)36-26(32-24)14-23(34-36)19-8-9-22(33-27(19)30)20-12-21(20)28(31)37/h2-5,8-9,13-15,17,20-21H,6-7,10-12H2,1H3,(H2,31,37)/t15-,20?,21-/m1/s1.

What are the key properties of (1R)-2-[5-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-6-fluoro-2-pyridinyl]cyclopropane-1-carboxamide?

(1R)-2-[5-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-6-fluoro-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 510.57 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-2-[5-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-6-fluoro-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 155642298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).