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

C33H31F2N5O2 — CID 156829621

IUPAC[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(2-fluoro-3-hydroxyphenyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3ccc(-c4cccc(O)c4F)cc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)cc(F)c12
InChIInChI=1S/C33H31F2N5O2/c1-17-31(37-40-16-22(11-24(34)32(17)40)33(42)39-15-21-9-10-25(39)30(21)36)27-13-20-8-7-19(23-3-2-4-28(41)29(23)35)12-26(20)38(27)14-18-5-6-18/h2-4,7-8,11-13,16,18,21,25,30,41H,5-6,9-10,14-15,36H2,1H3/t21?,25?,30-/m1/s1
InChIKeyXFUVKFKOJLDGAK-VDOBOPNRSA-N
MW567.64 g/mol
LogP5.89
Rot. Bonds5

About [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(2-fluoro-3-hydroxyphenyl)indol-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-(2-fluoro-3-hydroxyphenyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156829621) has the molecular formula C33H31F2N5O2 and a molecular weight of 567.64 g/mol. Its IUPAC name is [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(2-fluoro-3-hydroxyphenyl)indol-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-(2-fluoro-3-hydroxyphenyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
PubChem CID156829621
Molecular FormulaC33H31F2N5O2
Molecular Weight567.64 g/mol
Exact Mass567.24
IUPAC Name[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(2-fluoro-3-hydroxyphenyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3ccc(-c4cccc(O)c4F)cc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)cc(F)c12
InChIInChI=1S/C33H31F2N5O2/c1-17-31(37-40-16-22(11-24(34)32(17)40)33(42)39-15-21-9-10-25(39)30(21)36)27-13-20-8-7-19(23-3-2-4-28(41)29(23)35)12-26(20)38(27)14-18-5-6-18/h2-4,7-8,11-13,16,18,21,25,30,41H,5-6,9-10,14-15,36H2,1H3/t21?,25?,30-/m1/s1
InChIKeyXFUVKFKOJLDGAK-VDOBOPNRSA-N
XLogP5.89
TPSA88.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.64
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

US12473304, Example 32
CID 156828797
US12473304, Example 94
CID 156828817
US12473304, Example 93
CID 156828904
US12473304, Example 375
CID 156828917
US12473304, Example 98
CID 156829111
US12473304, Example 67
CID 156829200
US12473304, Example 74
CID 156829215
US12473304, Example 49
CID 156829446
US12473304, Example 48
CID 156829453
US12473304, Example 259
CID 156829459
US12473304, Example 371
CID 156829507
US12473304, Example 92
CID 156829530

Frequently Asked Questions

What is the IUPAC name of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(2-fluoro-3-hydroxyphenyl)indol-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-(2-fluoro-3-hydroxyphenyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156829621) is [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(2-fluoro-3-hydroxyphenyl)indol-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-(2-fluoro-3-hydroxyphenyl)indol-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-(2-fluoro-3-hydroxyphenyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is Cc1c(-c2cc3ccc(-c4cccc(O)c4F)cc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)cc(F)c12.
What is the InChIKey of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(2-fluoro-3-hydroxyphenyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The InChIKey is XFUVKFKOJLDGAK-VDOBOPNRSA-N. The full InChI is InChI=1S/C33H31F2N5O2/c1-17-31(37-40-16-22(11-24(34)32(17)40)33(42)39-15-21-9-10-25(39)30(21)36)27-13-20-8-7-19(23-3-2-4-28(41)29(23)35)12-26(20)38(27)14-18-5-6-18/h2-4,7-8,11-13,16,18,21,25,30,41H,5-6,9-10,14-15,36H2,1H3/t21?,25?,30-/m1/s1.
What are the key properties of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(2-fluoro-3-hydroxyphenyl)indol-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-(2-fluoro-3-hydroxyphenyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 567.64 g/mol, XLogP of 5.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-(2-fluoro-3-hydroxyphenyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156829621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).