4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one

C25H28ClN5O2 — CID 42641787

About 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one

4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one (PubChem CID 42641787) has the molecular formula C25H28ClN5O2 and a molecular weight of 465.99 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one.

Molecular Properties

• Compound Name: 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one
• PubChem CID: 42641787
• Molecular Formula: C25H28ClN5O2
• Molecular Weight: 465.99 g/mol
• Exact Mass: 465.19
• IUPAC Name: 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one
• SMILES: O=c1cc(OCc2ccc(Cl)cn2)ccn1-c1ccc(N2CCC(NC3CCCC3)C2)nc1
• InChI: InChI=1S/C25H28ClN5O2/c26-18-5-6-21(27-14-18)17-33-23-10-12-31(25(32)13-23)22-7-8-24(28-15-22)30-11-9-20(16-30)29-19-3-1-2-4-19/h5-8,10,12-15,19-20,29H,1-4,9,11,16-17H2
• InChIKey: JARRAMKELSGQST-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.99
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one?

The IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one (CID 42641787) is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one.

What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one?

The canonical SMILES for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one is O=c1cc(OCc2ccc(Cl)cn2)ccn1-c1ccc(N2CCC(NC3CCCC3)C2)nc1.

What is the InChIKey of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one?

The InChIKey is JARRAMKELSGQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O2/c26-18-5-6-21(27-14-18)17-33-23-10-12-31(25(32)13-23)22-7-8-24(28-15-22)30-11-9-20(16-30)29-19-3-1-2-4-19/h5-8,10,12-15,19-20,29H,1-4,9,11,16-17H2.

What are the key properties of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one?

4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one has a molecular weight of 465.99 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 42641787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).