6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]isoindol-1-one

C33H30FN7O2 — CID 166709781

About 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]isoindol-1-one

6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]isoindol-1-one (PubChem CID 166709781) has the molecular formula C33H30FN7O2 and a molecular weight of 575.65 g/mol. Its IUPAC name is 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]isoindol-1-one.

Molecular Properties

• Compound Name: 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]isoindol-1-one
• PubChem CID: 166709781
• Molecular Formula: C33H30FN7O2
• Molecular Weight: 575.65 g/mol
• Exact Mass: 575.24
• IUPAC Name: 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]isoindol-1-one
• SMILES: Cc1c(-c2cc3ccc(-c4ccc5c(c4)C(=O)N=C5)nc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
• InChI: InChI=1S/C33H30FN7O2/c1-18-28-9-7-23(33(43)39-16-24(34)12-25(35)17-39)15-41(28)38-30(18)29-11-21-6-8-27(37-31(21)40(29)14-19-2-3-19)20-4-5-22-13-36-32(42)26(22)10-20/h4-11,13,15,19,24-25H,2-3,12,14,16-17,35H2,1H3/t24-,25-/m1/s1
• InChIKey: MFXJQKMSVXTZTO-JWQCQUIFSA-N
• XLogP: 4.82
• TPSA: 110.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.65
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]isoindol-1-one?

The IUPAC name of 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]isoindol-1-one (CID 166709781) is 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]isoindol-1-one.

What is the SMILES notation for 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]isoindol-1-one?

The canonical SMILES for 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]isoindol-1-one is Cc1c(-c2cc3ccc(-c4ccc5c(c4)C(=O)N=C5)nc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12.

What is the InChIKey of 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]isoindol-1-one?

The InChIKey is MFXJQKMSVXTZTO-JWQCQUIFSA-N. The full InChI is InChI=1S/C33H30FN7O2/c1-18-28-9-7-23(33(43)39-16-24(34)12-25(35)17-39)15-41(28)38-30(18)29-11-21-6-8-27(37-31(21)40(29)14-19-2-3-19)20-4-5-22-13-36-32(42)26(22)10-20/h4-11,13,15,19,24-25H,2-3,12,14,16-17,35H2,1H3/t24-,25-/m1/s1.

What are the key properties of 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]isoindol-1-one?

6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]isoindol-1-one has a molecular weight of 575.65 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]isoindol-1-one is sourced from PubChem (CID 166709781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).