2-amino-4-chloro-6-(cyclopentylmethylidene)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pyrido[2,3-d]pyrimidin-5-one

C22H26ClN5O2 — CID 75034193

About 2-amino-4-chloro-6-(cyclopentylmethylidene)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pyrido[2,3-d]pyrimidin-5-one

2-amino-4-chloro-6-(cyclopentylmethylidene)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pyrido[2,3-d]pyrimidin-5-one (PubChem CID 75034193) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is 2-amino-4-chloro-6-(cyclopentylmethylidene)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

• Compound Name: 2-amino-4-chloro-6-(cyclopentylmethylidene)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pyrido[2,3-d]pyrimidin-5-one
• PubChem CID: 75034193
• Molecular Formula: C22H26ClN5O2
• Molecular Weight: 427.94 g/mol
• Exact Mass: 427.18
• IUPAC Name: 2-amino-4-chloro-6-(cyclopentylmethylidene)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pyrido[2,3-d]pyrimidin-5-one
• SMILES: COc1c(C)cnc(CN2CC(=CC3CCCC3)C(=O)c3c(Cl)nc(N)nc32)c1C
• InChI: InChI=1S/C22H26ClN5O2/c1-12-9-25-16(13(2)19(12)30-3)11-28-10-15(8-14-6-4-5-7-14)18(29)17-20(23)26-22(24)27-21(17)28/h8-9,14H,4-7,10-11H2,1-3H3,(H2,24,26,27)
• InChIKey: CFHQOEWGZMQKOJ-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 94.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.94
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-6-(cyclopentylmethylidene)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pyrido[2,3-d]pyrimidin-5-one?

The IUPAC name of 2-amino-4-chloro-6-(cyclopentylmethylidene)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pyrido[2,3-d]pyrimidin-5-one (CID 75034193) is 2-amino-4-chloro-6-(cyclopentylmethylidene)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pyrido[2,3-d]pyrimidin-5-one.

What is the SMILES notation for 2-amino-4-chloro-6-(cyclopentylmethylidene)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pyrido[2,3-d]pyrimidin-5-one?

The canonical SMILES for 2-amino-4-chloro-6-(cyclopentylmethylidene)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pyrido[2,3-d]pyrimidin-5-one is COc1c(C)cnc(CN2CC(=CC3CCCC3)C(=O)c3c(Cl)nc(N)nc32)c1C.

What is the InChIKey of 2-amino-4-chloro-6-(cyclopentylmethylidene)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pyrido[2,3-d]pyrimidin-5-one?

The InChIKey is CFHQOEWGZMQKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c1-12-9-25-16(13(2)19(12)30-3)11-28-10-15(8-14-6-4-5-7-14)18(29)17-20(23)26-22(24)27-21(17)28/h8-9,14H,4-7,10-11H2,1-3H3,(H2,24,26,27).

What are the key properties of 2-amino-4-chloro-6-(cyclopentylmethylidene)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pyrido[2,3-d]pyrimidin-5-one?

2-amino-4-chloro-6-(cyclopentylmethylidene)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 427.94 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-chloro-6-(cyclopentylmethylidene)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 75034193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).