Tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate

C₃₂H₃₅BrFN₅O₃ — CID 156829068

About Tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate

Tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate (PubChem CID 156829068) has the molecular formula C₃₂H₃₅BrFN₅O₃ and a molecular weight of 636.57 g/mol. Its IUPAC name is tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate.

Molecular Properties

• Compound Name: Tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate
• PubChem CID: 156829068
• Molecular Formula: C₃₂H₃₅BrFN₅O₃
• Molecular Weight: 636.57 g/mol
• Exact Mass: 635.19
• IUPAC Name: tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate
• SMILES: Cc1c(-c2cc3ccc(Br)cc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4NC(=O)OC(C)(C)C)cc(F)c12
• InChI: InChI=1S/C32H35BrFN5O3/c1-17-27(26-12-19-7-9-22(33)13-25(19)37(26)14-18-5-6-18)36-39-16-21(11-23(34)29(17)39)30(40)38-15-20-8-10-24(38)28(20)35-31(41)42-32(2,3)4/h7,9,11-13,16,18,20,24,28H,5-6,8,10,14-15H2,1-4H3,(H,35,41)/t20?,24?,28-/m1/s1
• InChIKey: HCLDMQHMQZSLDW-QMCAYLGFSA-N
• XLogP: 6.70
• TPSA: 80.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.57
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate?

The IUPAC name of Tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate (CID 156829068) is tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate.

What is the SMILES notation for Tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate?

The canonical SMILES for Tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate is Cc1c(-c2cc3ccc(Br)cc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4NC(=O)OC(C)(C)C)cc(F)c12.

What is the InChIKey of Tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate?

The InChIKey is HCLDMQHMQZSLDW-QMCAYLGFSA-N. The full InChI is InChI=1S/C32H35BrFN5O3/c1-17-27(26-12-19-7-9-22(33)13-25(19)37(26)14-18-5-6-18)36-39-16-21(11-23(34)29(17)39)30(40)38-15-20-8-10-24(38)28(20)35-31(41)42-32(2,3)4/h7,9,11-13,16,18,20,24,28H,5-6,8,10,14-15H2,1-4H3,(H,35,41)/t20?,24?,28-/m1/s1.

What are the key properties of Tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate?

Tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate has a molecular weight of 636.57 g/mol, XLogP of 6.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate is sourced from PubChem (CID 156829068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156829068 — identifiers, structure, computed properties (public domain)

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