5-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2,3-dihydroisoindol-1-one

C33H32FN7O2 — CID 156828770

IUPAC5-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2,3-dihydroisoindol-1-one
SMILESCc1c(-c2cc3ccc(-c4ccc5c(c4)CNC5=O)nc3n2CC2CC2)nn2cc(C(=O)N3CCC[C@@H](N)C3)cc(F)c12
InChIInChI=1S/C33H32FN7O2/c1-18-29(38-41-16-23(12-26(34)30(18)41)33(43)39-10-2-3-24(35)17-39)28-13-21-7-9-27(37-31(21)40(28)15-19-4-5-19)20-6-8-25-22(11-20)14-36-32(25)42/h6-9,11-13,16,19,24H,2-5,10,14-15,17,35H2,1H3,(H,36,42)/t24-/m1/s1
InChIKeyPGVYCEPKYGDDHY-XMMPIXPASA-N
MW577.66 g/mol
LogP4.68
Rot. Bonds5

About 5-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2,3-dihydroisoindol-1-one

5-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2,3-dihydroisoindol-1-one (PubChem CID 156828770) has the molecular formula C33H32FN7O2 and a molecular weight of 577.66 g/mol. Its IUPAC name is 5-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2,3-dihydroisoindol-1-one
PubChem CID156828770
Molecular FormulaC33H32FN7O2
Molecular Weight577.66 g/mol
Exact Mass577.26
IUPAC Name5-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2,3-dihydroisoindol-1-one
SMILESCc1c(-c2cc3ccc(-c4ccc5c(c4)CNC5=O)nc3n2CC2CC2)nn2cc(C(=O)N3CCC[C@@H](N)C3)cc(F)c12
InChIInChI=1S/C33H32FN7O2/c1-18-29(38-41-16-23(12-26(34)30(18)41)33(43)39-10-2-3-24(35)17-39)28-13-21-7-9-27(37-31(21)40(28)15-19-4-5-19)20-6-8-25-22(11-20)14-36-32(25)42/h6-9,11-13,16,19,24H,2-5,10,14-15,17,35H2,1H3,(H,36,42)/t24-/m1/s1
InChIKeyPGVYCEPKYGDDHY-XMMPIXPASA-N
XLogP4.68
TPSA110.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.66
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2,3-dihydroisoindol-1-one (CID 156828770) is 5-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2,3-dihydroisoindol-1-one is Cc1c(-c2cc3ccc(-c4ccc5c(c4)CNC5=O)nc3n2CC2CC2)nn2cc(C(=O)N3CCC[C@@H](N)C3)cc(F)c12.
What is the InChIKey of 5-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is PGVYCEPKYGDDHY-XMMPIXPASA-N. The full InChI is InChI=1S/C33H32FN7O2/c1-18-29(38-41-16-23(12-26(34)30(18)41)33(43)39-10-2-3-24(35)17-39)28-13-21-7-9-27(37-31(21)40(28)15-19-4-5-19)20-6-8-25-22(11-20)14-36-32(25)42/h6-9,11-13,16,19,24H,2-5,10,14-15,17,35H2,1H3,(H,36,42)/t24-/m1/s1.
What are the key properties of 5-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2,3-dihydroisoindol-1-one?
5-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 577.66 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 156828770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).