(5R)-5-[[[6-[3-[2-[1-(azetidin-3-yl)pyrazol-4-yl]-3-chloro-4-pyridinyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one

C29H29Cl2N7O2 — CID 170697146

About (5R)-5-[[[6-[3-[2-[1-(azetidin-3-yl)pyrazol-4-yl]-3-chloro-4-pyridinyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one

(5R)-5-[[[6-[3-[2-[1-(azetidin-3-yl)pyrazol-4-yl]-3-chloro-4-pyridinyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one (PubChem CID 170697146) has the molecular formula C29H29Cl2N7O2 and a molecular weight of 578.50 g/mol. Its IUPAC name is (5R)-5-[[[6-[3-[2-[1-(azetidin-3-yl)pyrazol-4-yl]-3-chloro-4-pyridinyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (5R)-5-[[[6-[3-[2-[1-(azetidin-3-yl)pyrazol-4-yl]-3-chloro-4-pyridinyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
• PubChem CID: 170697146
• Molecular Formula: C29H29Cl2N7O2
• Molecular Weight: 578.50 g/mol
• Exact Mass: 577.18
• IUPAC Name: (5R)-5-[[[6-[3-[2-[1-(azetidin-3-yl)pyrazol-4-yl]-3-chloro-4-pyridinyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
• SMILES: COc1nc(-c2cccc(-c3ccnc(-c4cnn(C5CNC5)c4)c3Cl)c2Cl)ccc1CNC[C@H]1CCC(=O)N1
• InChI: InChI=1S/C29H29Cl2N7O2/c1-40-29-17(11-32-13-19-6-8-25(39)36-19)5-7-24(37-29)23-4-2-3-21(26(23)30)22-9-10-34-28(27(22)31)18-12-35-38(16-18)20-14-33-15-20/h2-5,7,9-10,12,16,19-20,32-33H,6,8,11,13-15H2,1H3,(H,36,39)/t19-/m1/s1
• InChIKey: FNWRXPNSUMYHNQ-LJQANCHMSA-N
• XLogP: 4.50
• TPSA: 105.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.50
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[[6-[3-[2-[1-(azetidin-3-yl)pyrazol-4-yl]-3-chloro-4-pyridinyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one?

The IUPAC name of (5R)-5-[[[6-[3-[2-[1-(azetidin-3-yl)pyrazol-4-yl]-3-chloro-4-pyridinyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one (CID 170697146) is (5R)-5-[[[6-[3-[2-[1-(azetidin-3-yl)pyrazol-4-yl]-3-chloro-4-pyridinyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one.

What is the SMILES notation for (5R)-5-[[[6-[3-[2-[1-(azetidin-3-yl)pyrazol-4-yl]-3-chloro-4-pyridinyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one?

The canonical SMILES for (5R)-5-[[[6-[3-[2-[1-(azetidin-3-yl)pyrazol-4-yl]-3-chloro-4-pyridinyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one is COc1nc(-c2cccc(-c3ccnc(-c4cnn(C5CNC5)c4)c3Cl)c2Cl)ccc1CNC[C@H]1CCC(=O)N1.

What is the InChIKey of (5R)-5-[[[6-[3-[2-[1-(azetidin-3-yl)pyrazol-4-yl]-3-chloro-4-pyridinyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one?

The InChIKey is FNWRXPNSUMYHNQ-LJQANCHMSA-N. The full InChI is InChI=1S/C29H29Cl2N7O2/c1-40-29-17(11-32-13-19-6-8-25(39)36-19)5-7-24(37-29)23-4-2-3-21(26(23)30)22-9-10-34-28(27(22)31)18-12-35-38(16-18)20-14-33-15-20/h2-5,7,9-10,12,16,19-20,32-33H,6,8,11,13-15H2,1H3,(H,36,39)/t19-/m1/s1.

What are the key properties of (5R)-5-[[[6-[3-[2-[1-(azetidin-3-yl)pyrazol-4-yl]-3-chloro-4-pyridinyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one?

(5R)-5-[[[6-[3-[2-[1-(azetidin-3-yl)pyrazol-4-yl]-3-chloro-4-pyridinyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one has a molecular weight of 578.50 g/mol, XLogP of 4.50, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[[[6-[3-[2-[1-(azetidin-3-yl)pyrazol-4-yl]-3-chloro-4-pyridinyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 170697146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).