4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one

C₃₁H₃₆FN₇O₄ — CID 156829549

About 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one

4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 156829549) has the molecular formula C₃₁H₃₆FN₇O₄ and a molecular weight of 589.67 g/mol. Its IUPAC name is 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one
• PubChem CID: 156829549
• Molecular Formula: C₃₁H₃₆FN₇O₄
• Molecular Weight: 589.67 g/mol
• Exact Mass: 589.28
• IUPAC Name: 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one
• SMILES: COc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cn2nc(-c3cc4ccnc(OCC5CNC(=O)C5)c4n3CC3CC3)c(C)c12
• InChI: InChI=1S/C31H36FN7O4/c1-17-27(36-39-13-21(9-25(42-2)28(17)39)31(41)37-14-22(32)10-23(33)15-37)24-8-20-5-6-34-30(29(20)38(24)12-18-3-4-18)43-16-19-7-26(40)35-11-19/h5-6,8-9,13,18-19,22-23H,3-4,7,10-12,14-16,33H2,1-2H3,(H,35,40)/t19?,22-,23-/m1/s1
• InChIKey: LXCFVANXUHNYJR-QENMJEOYSA-N
• XLogP: 3.10
• TPSA: 129.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	589.67
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one?

The IUPAC name of 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one (CID 156829549) is 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one.

What is the SMILES notation for 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one?

The canonical SMILES for 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one is COc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cn2nc(-c3cc4ccnc(OCC5CNC(=O)C5)c4n3CC3CC3)c(C)c12.

What is the InChIKey of 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one?

The InChIKey is LXCFVANXUHNYJR-QENMJEOYSA-N. The full InChI is InChI=1S/C31H36FN7O4/c1-17-27(36-39-13-21(9-25(42-2)28(17)39)31(41)37-14-22(32)10-23(33)15-37)24-8-20-5-6-34-30(29(20)38(24)12-18-3-4-18)43-16-19-7-26(40)35-11-19/h5-6,8-9,13,18-19,22-23H,3-4,7,10-12,14-16,33H2,1-2H3,(H,35,40)/t19?,22-,23-/m1/s1.

What are the key properties of 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one?

4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 589.67 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 156829549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156829549 — identifiers, structure, computed properties (public domain)

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