5-[2-[6-[(7R)-7-aminobicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one

C36H34FN5O2 — CID 168765951

IUPAC5-[2-[6-[(7R)-7-aminobicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one
SMILESCc1c(-c2cc3ccc(-c4ccc5c(c4)CNC5=O)cc3n2CC2CC2)nn2cc(C(=O)C3CC4CCC3[C@@H]4N)cc(F)c12
InChIInChI=1S/C36H34FN5O2/c1-18-33(40-42-17-25(12-29(37)34(18)42)35(43)28-11-23-7-9-27(28)32(23)38)31-14-22-5-4-21(13-30(22)41(31)16-19-2-3-19)20-6-8-26-24(10-20)15-39-36(26)44/h4-6,8,10,12-14,17,19,23,27-28,32H,2-3,7,9,11,15-16,38H2,1H3,(H,39,44)/t23?,27?,28?,32-/m1/s1
InChIKeyAKYMBDMINLTULZ-CEMKGQCASA-N
MW587.70 g/mol
LogP6.28
Rot. Bonds6

About 5-[2-[6-[(7R)-7-aminobicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one

5-[2-[6-[(7R)-7-aminobicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one (PubChem CID 168765951) has the molecular formula C36H34FN5O2 and a molecular weight of 587.70 g/mol. Its IUPAC name is 5-[2-[6-[(7R)-7-aminobicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-[2-[6-[(7R)-7-aminobicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one
PubChem CID168765951
Molecular FormulaC36H34FN5O2
Molecular Weight587.70 g/mol
Exact Mass587.27
IUPAC Name5-[2-[6-[(7R)-7-aminobicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one
SMILESCc1c(-c2cc3ccc(-c4ccc5c(c4)CNC5=O)cc3n2CC2CC2)nn2cc(C(=O)C3CC4CCC3[C@@H]4N)cc(F)c12
InChIInChI=1S/C36H34FN5O2/c1-18-33(40-42-17-25(12-29(37)34(18)42)35(43)28-11-23-7-9-27(28)32(23)38)31-14-22-5-4-21(13-30(22)41(31)16-19-2-3-19)20-6-8-26-24(10-20)15-39-36(26)44/h4-6,8,10,12-14,17,19,23,27-28,32H,2-3,7,9,11,15-16,38H2,1H3,(H,39,44)/t23?,27?,28?,32-/m1/s1
InChIKeyAKYMBDMINLTULZ-CEMKGQCASA-N
XLogP6.28
TPSA94.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.70
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-[6-[(7R)-7-aminobicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[6-[(7R)-7-aminobicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-[2-[6-[(7R)-7-aminobicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one (CID 168765951) is 5-[2-[6-[(7R)-7-aminobicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-[2-[6-[(7R)-7-aminobicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-[2-[6-[(7R)-7-aminobicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one is Cc1c(-c2cc3ccc(-c4ccc5c(c4)CNC5=O)cc3n2CC2CC2)nn2cc(C(=O)C3CC4CCC3[C@@H]4N)cc(F)c12.
What is the InChIKey of 5-[2-[6-[(7R)-7-aminobicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is AKYMBDMINLTULZ-CEMKGQCASA-N. The full InChI is InChI=1S/C36H34FN5O2/c1-18-33(40-42-17-25(12-29(37)34(18)42)35(43)28-11-23-7-9-27(28)32(23)38)31-14-22-5-4-21(13-30(22)41(31)16-19-2-3-19)20-6-8-26-24(10-20)15-39-36(26)44/h4-6,8,10,12-14,17,19,23,27-28,32H,2-3,7,9,11,15-16,38H2,1H3,(H,39,44)/t23?,27?,28?,32-/m1/s1.
What are the key properties of 5-[2-[6-[(7R)-7-aminobicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one?
5-[2-[6-[(7R)-7-aminobicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 587.70 g/mol, XLogP of 6.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[6-[(7R)-7-aminobicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 168765951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).