(3S)-1-[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]-3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile

C26H25N7O2 — CID 121374873

About (3S)-1-[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]-3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile

(3S)-1-[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]-3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile (PubChem CID 121374873) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is (3S)-1-[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]-3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile.

Molecular Properties

• Compound Name: (3S)-1-[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]-3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile
• PubChem CID: 121374873
• Molecular Formula: C26H25N7O2
• Molecular Weight: 467.53 g/mol
• Exact Mass: 467.21
• IUPAC Name: (3S)-1-[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]-3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile
• SMILES: N#C[C@@]1(C2CC2)CCN(c2ccnc(Nc3cc(N4CC[C@@](C#N)(C5CC5)C4=O)ccn3)c2)C1=O
• InChI: InChI=1S/C26H25N7O2/c27-15-25(17-1-2-17)7-11-32(23(25)34)19-5-9-29-21(13-19)31-22-14-20(6-10-30-22)33-12-8-26(16-28,24(33)35)18-3-4-18/h5-6,9-10,13-14,17-18H,1-4,7-8,11-12H2,(H,29,30,31)/t25-,26-/m1/s1
• InChIKey: XLMGSMUSIQDNJG-CLJLJLNGSA-N
• XLogP: 3.53
• TPSA: 126.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.53
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]-3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile?

The IUPAC name of (3S)-1-[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]-3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile (CID 121374873) is (3S)-1-[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]-3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile.

What is the SMILES notation for (3S)-1-[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]-3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile?

The canonical SMILES for (3S)-1-[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]-3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile is N#C[C@@]1(C2CC2)CCN(c2ccnc(Nc3cc(N4CC[C@@](C#N)(C5CC5)C4=O)ccn3)c2)C1=O.

What is the InChIKey of (3S)-1-[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]-3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile?

The InChIKey is XLMGSMUSIQDNJG-CLJLJLNGSA-N. The full InChI is InChI=1S/C26H25N7O2/c27-15-25(17-1-2-17)7-11-32(23(25)34)19-5-9-29-21(13-19)31-22-14-20(6-10-30-22)33-12-8-26(16-28,24(33)35)18-3-4-18/h5-6,9-10,13-14,17-18H,1-4,7-8,11-12H2,(H,29,30,31)/t25-,26-/m1/s1.

What are the key properties of (3S)-1-[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]-3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile?

(3S)-1-[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]-3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile has a molecular weight of 467.53 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]-3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile is sourced from PubChem (CID 121374873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).