[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyazetidin-1-yl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

C30H34FN7O2 — CID 156829631

IUPAC[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyazetidin-1-yl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCOC1CN(c2ccc3cc(-c4nn5cc(C(=O)N6CC7CCC6[C@@H]7N)cc(F)c5c4C)n(CC4CC4)c3n2)C1
InChIInChI=1S/C30H34FN7O2/c1-16-27(34-38-13-20(9-22(31)28(16)38)30(39)37-12-19-5-7-23(37)26(19)32)24-10-18-6-8-25(35-14-21(15-35)40-2)33-29(18)36(24)11-17-3-4-17/h6,8-10,13,17,19,21,23,26H,3-5,7,11-12,14-15,32H2,1-2H3/t19?,23?,26-/m1/s1
InChIKeyJGELPWURMLLOCN-HRQYYILTSA-N
MW543.65 g/mol
LogP3.61
Rot. Bonds6

About [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyazetidin-1-yl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyazetidin-1-yl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156829631) has the molecular formula C30H34FN7O2 and a molecular weight of 543.65 g/mol. Its IUPAC name is [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyazetidin-1-yl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.

Molecular Properties

Compound Name[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyazetidin-1-yl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
PubChem CID156829631
Molecular FormulaC30H34FN7O2
Molecular Weight543.65 g/mol
Exact Mass543.28
IUPAC Name[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyazetidin-1-yl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCOC1CN(c2ccc3cc(-c4nn5cc(C(=O)N6CC7CCC6[C@@H]7N)cc(F)c5c4C)n(CC4CC4)c3n2)C1
InChIInChI=1S/C30H34FN7O2/c1-16-27(34-38-13-20(9-22(31)28(16)38)30(39)37-12-19-5-7-23(37)26(19)32)24-10-18-6-8-25(35-14-21(15-35)40-2)33-29(18)36(24)11-17-3-4-17/h6,8-10,13,17,19,21,23,26H,3-5,7,11-12,14-15,32H2,1-2H3/t19?,23?,26-/m1/s1
InChIKeyJGELPWURMLLOCN-HRQYYILTSA-N
XLogP3.61
TPSA93.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.65
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyazetidin-1-yl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyazetidin-1-yl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The IUPAC name of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyazetidin-1-yl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156829631) is [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyazetidin-1-yl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.
What is the SMILES notation for [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyazetidin-1-yl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The canonical SMILES for [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyazetidin-1-yl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is COC1CN(c2ccc3cc(-c4nn5cc(C(=O)N6CC7CCC6[C@@H]7N)cc(F)c5c4C)n(CC4CC4)c3n2)C1.
What is the InChIKey of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyazetidin-1-yl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The InChIKey is JGELPWURMLLOCN-HRQYYILTSA-N. The full InChI is InChI=1S/C30H34FN7O2/c1-16-27(34-38-13-20(9-22(31)28(16)38)30(39)37-12-19-5-7-23(37)26(19)32)24-10-18-6-8-25(35-14-21(15-35)40-2)33-29(18)36(24)11-17-3-4-17/h6,8-10,13,17,19,21,23,26H,3-5,7,11-12,14-15,32H2,1-2H3/t19?,23?,26-/m1/s1.
What are the key properties of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyazetidin-1-yl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyazetidin-1-yl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 543.65 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyazetidin-1-yl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156829631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).