2-[(1R)-1-(3-chloro-2-pyridinyl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide

C25H26ClFN6O3 — CID 167375053

About 2-[(1R)-1-(3-chloro-2-pyridinyl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide

2-[(1R)-1-(3-chloro-2-pyridinyl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 167375053) has the molecular formula C25H26ClFN6O3 and a molecular weight of 512.97 g/mol. Its IUPAC name is 2-[(1R)-1-(3-chloro-2-pyridinyl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

• Compound Name: 2-[(1R)-1-(3-chloro-2-pyridinyl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
• PubChem CID: 167375053
• Molecular Formula: C25H26ClFN6O3
• Molecular Weight: 512.97 g/mol
• Exact Mass: 512.17
• IUPAC Name: 2-[(1R)-1-(3-chloro-2-pyridinyl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
• SMILES: COc1cc(-c2cc(C(=O)N3CCC(C(N)=O)CC34CC4[C@@H](C)c3ncccc3Cl)[nH]n2)c(F)cn1
• InChI: InChI=1S/C25H26ClFN6O3/c1-13(22-17(26)4-3-6-29-22)16-11-25(16)10-14(23(28)34)5-7-33(25)24(35)20-9-19(31-32-20)15-8-21(36-2)30-12-18(15)27/h3-4,6,8-9,12-14,16H,5,7,10-11H2,1-2H3,(H2,28,34)(H,31,32)/t13-,14?,16?,25?/m1/s1
• InChIKey: ZYTAZOSQCVDAKJ-SBGUNDFYSA-N
• XLogP: 3.57
• TPSA: 127.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.97
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(3-chloro-2-pyridinyl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide?

The IUPAC name of 2-[(1R)-1-(3-chloro-2-pyridinyl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide (CID 167375053) is 2-[(1R)-1-(3-chloro-2-pyridinyl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide.

What is the SMILES notation for 2-[(1R)-1-(3-chloro-2-pyridinyl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide?

The canonical SMILES for 2-[(1R)-1-(3-chloro-2-pyridinyl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide is COc1cc(-c2cc(C(=O)N3CCC(C(N)=O)CC34CC4[C@@H](C)c3ncccc3Cl)[nH]n2)c(F)cn1.

What is the InChIKey of 2-[(1R)-1-(3-chloro-2-pyridinyl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide?

The InChIKey is ZYTAZOSQCVDAKJ-SBGUNDFYSA-N. The full InChI is InChI=1S/C25H26ClFN6O3/c1-13(22-17(26)4-3-6-29-22)16-11-25(16)10-14(23(28)34)5-7-33(25)24(35)20-9-19(31-32-20)15-8-21(36-2)30-12-18(15)27/h3-4,6,8-9,12-14,16H,5,7,10-11H2,1-2H3,(H2,28,34)(H,31,32)/t13-,14?,16?,25?/m1/s1.

What are the key properties of 2-[(1R)-1-(3-chloro-2-pyridinyl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide?

2-[(1R)-1-(3-chloro-2-pyridinyl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 512.97 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R)-1-(3-chloro-2-pyridinyl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 167375053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).