6-[2-[6-[(3S,5S)-3-amino-5-fluorocyclohexanecarbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one

C35H34FN5O2 — CID 168765940

IUPAC6-[2-[6-[(3S,5S)-3-amino-5-fluorocyclohexanecarbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one
SMILESCc1c(-c2cc3ccc(-c4ccc5c(c4)C(=O)NC5)cc3n2CC2CC2)nn2cc(C(=O)C3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C35H34FN5O2/c1-19-30-9-8-25(34(42)26-10-27(36)15-28(37)11-26)18-41(30)39-33(19)32-14-23-6-4-22(13-31(23)40(32)17-20-2-3-20)21-5-7-24-16-38-35(43)29(24)12-21/h4-9,12-14,18,20,26-28H,2-3,10-11,15-17,37H2,1H3,(H,38,43)/t26?,27-,28-/m0/s1
InChIKeyZAPQTRQNQJRORK-UWDVWBIHSA-N
MW575.69 g/mol
LogP6.23
Rot. Bonds6

About 6-[2-[6-[(3S,5S)-3-amino-5-fluorocyclohexanecarbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one

6-[2-[6-[(3S,5S)-3-amino-5-fluorocyclohexanecarbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one (PubChem CID 168765940) has the molecular formula C35H34FN5O2 and a molecular weight of 575.69 g/mol. Its IUPAC name is 6-[2-[6-[(3S,5S)-3-amino-5-fluorocyclohexanecarbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-[2-[6-[(3S,5S)-3-amino-5-fluorocyclohexanecarbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one
PubChem CID168765940
Molecular FormulaC35H34FN5O2
Molecular Weight575.69 g/mol
Exact Mass575.27
IUPAC Name6-[2-[6-[(3S,5S)-3-amino-5-fluorocyclohexanecarbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one
SMILESCc1c(-c2cc3ccc(-c4ccc5c(c4)C(=O)NC5)cc3n2CC2CC2)nn2cc(C(=O)C3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C35H34FN5O2/c1-19-30-9-8-25(34(42)26-10-27(36)15-28(37)11-26)18-41(30)39-33(19)32-14-23-6-4-22(13-31(23)40(32)17-20-2-3-20)21-5-7-24-16-38-35(43)29(24)12-21/h4-9,12-14,18,20,26-28H,2-3,10-11,15-17,37H2,1H3,(H,38,43)/t26?,27-,28-/m0/s1
InChIKeyZAPQTRQNQJRORK-UWDVWBIHSA-N
XLogP6.23
TPSA94.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.69
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[2-[6-[(3S,5S)-3-amino-5-fluorocyclohexanecarbonyl]-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 6-[2-[6-[(3S,5S)-3-amino-5-fluorocyclohexanecarbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-[2-[6-[(3S,5S)-3-amino-5-fluorocyclohexanecarbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one (CID 168765940) is 6-[2-[6-[(3S,5S)-3-amino-5-fluorocyclohexanecarbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-[2-[6-[(3S,5S)-3-amino-5-fluorocyclohexanecarbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-[2-[6-[(3S,5S)-3-amino-5-fluorocyclohexanecarbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one is Cc1c(-c2cc3ccc(-c4ccc5c(c4)C(=O)NC5)cc3n2CC2CC2)nn2cc(C(=O)C3C[C@H](N)C[C@@H](F)C3)ccc12.
What is the InChIKey of 6-[2-[6-[(3S,5S)-3-amino-5-fluorocyclohexanecarbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is ZAPQTRQNQJRORK-UWDVWBIHSA-N. The full InChI is InChI=1S/C35H34FN5O2/c1-19-30-9-8-25(34(42)26-10-27(36)15-28(37)11-26)18-41(30)39-33(19)32-14-23-6-4-22(13-31(23)40(32)17-20-2-3-20)21-5-7-24-16-38-35(43)29(24)12-21/h4-9,12-14,18,20,26-28H,2-3,10-11,15-17,37H2,1H3,(H,38,43)/t26?,27-,28-/m0/s1.
What are the key properties of 6-[2-[6-[(3S,5S)-3-amino-5-fluorocyclohexanecarbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one?
6-[2-[6-[(3S,5S)-3-amino-5-fluorocyclohexanecarbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 575.69 g/mol, XLogP of 6.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-[(3S,5S)-3-amino-5-fluorocyclohexanecarbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 168765940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).