4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(2,7-diazaspiro[4.5]decan-7-ylmethyl)-3,4-dihydronaphthalen-2-yl]pyridin-2-one

C30H33ClN4O2 — CID 90023131

About 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(2,7-diazaspiro[4.5]decan-7-ylmethyl)-3,4-dihydronaphthalen-2-yl]pyridin-2-one

4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(2,7-diazaspiro[4.5]decan-7-ylmethyl)-3,4-dihydronaphthalen-2-yl]pyridin-2-one (PubChem CID 90023131) has the molecular formula C30H33ClN4O2 and a molecular weight of 517.07 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(2,7-diazaspiro[4.5]decan-7-ylmethyl)-3,4-dihydronaphthalen-2-yl]pyridin-2-one.

Molecular Properties

• Compound Name: 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(2,7-diazaspiro[4.5]decan-7-ylmethyl)-3,4-dihydronaphthalen-2-yl]pyridin-2-one
• PubChem CID: 90023131
• Molecular Formula: C30H33ClN4O2
• Molecular Weight: 517.07 g/mol
• Exact Mass: 516.23
• IUPAC Name: 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(2,7-diazaspiro[4.5]decan-7-ylmethyl)-3,4-dihydronaphthalen-2-yl]pyridin-2-one
• SMILES: O=c1cc(OCc2ccc(Cl)cn2)ccn1C1=Cc2ccc(CN3CCCC4(CCNC4)C3)cc2CC1
• InChI: InChI=1S/C30H33ClN4O2/c31-25-5-6-26(33-17-25)19-37-28-8-13-35(29(36)16-28)27-7-4-23-14-22(2-3-24(23)15-27)18-34-12-1-9-30(21-34)10-11-32-20-30/h2-3,5-6,8,13-17,32H,1,4,7,9-12,18-21H2
• InChIKey: BOMKNPRWHJCEQQ-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.07
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(2,7-diazaspiro[4.5]decan-7-ylmethyl)-3,4-dihydronaphthalen-2-yl]pyridin-2-one?

The IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(2,7-diazaspiro[4.5]decan-7-ylmethyl)-3,4-dihydronaphthalen-2-yl]pyridin-2-one (CID 90023131) is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(2,7-diazaspiro[4.5]decan-7-ylmethyl)-3,4-dihydronaphthalen-2-yl]pyridin-2-one.

What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(2,7-diazaspiro[4.5]decan-7-ylmethyl)-3,4-dihydronaphthalen-2-yl]pyridin-2-one?

The canonical SMILES for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(2,7-diazaspiro[4.5]decan-7-ylmethyl)-3,4-dihydronaphthalen-2-yl]pyridin-2-one is O=c1cc(OCc2ccc(Cl)cn2)ccn1C1=Cc2ccc(CN3CCCC4(CCNC4)C3)cc2CC1.

What is the InChIKey of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(2,7-diazaspiro[4.5]decan-7-ylmethyl)-3,4-dihydronaphthalen-2-yl]pyridin-2-one?

The InChIKey is BOMKNPRWHJCEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClN4O2/c31-25-5-6-26(33-17-25)19-37-28-8-13-35(29(36)16-28)27-7-4-23-14-22(2-3-24(23)15-27)18-34-12-1-9-30(21-34)10-11-32-20-30/h2-3,5-6,8,13-17,32H,1,4,7,9-12,18-21H2.

What are the key properties of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(2,7-diazaspiro[4.5]decan-7-ylmethyl)-3,4-dihydronaphthalen-2-yl]pyridin-2-one?

4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(2,7-diazaspiro[4.5]decan-7-ylmethyl)-3,4-dihydronaphthalen-2-yl]pyridin-2-one has a molecular weight of 517.07 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(2,7-diazaspiro[4.5]decan-7-ylmethyl)-3,4-dihydronaphthalen-2-yl]pyridin-2-one is sourced from PubChem (CID 90023131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).