3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)-6-(1H-pyrazol-5-yl)pyrazine-2-carboxamide

C26H32N8O3 — CID 168769132

About 3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)-6-(1H-pyrazol-5-yl)pyrazine-2-carboxamide

3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)-6-(1H-pyrazol-5-yl)pyrazine-2-carboxamide (PubChem CID 168769132) has the molecular formula C26H32N8O3 and a molecular weight of 504.60 g/mol. Its IUPAC name is 3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)-6-(1H-pyrazol-5-yl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)-6-(1H-pyrazol-5-yl)pyrazine-2-carboxamide
• PubChem CID: 168769132
• Molecular Formula: C26H32N8O3
• Molecular Weight: 504.60 g/mol
• Exact Mass: 504.26
• IUPAC Name: 3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)-6-(1H-pyrazol-5-yl)pyrazine-2-carboxamide
• SMILES: NC(=O)c1nc(-c2ccn[nH]2)c(NC2CCOCC23CC3)nc1Nc1ccc(CN2CCOCC2)cc1
• InChI: InChI=1S/C26H32N8O3/c27-23(35)22-25(29-18-3-1-17(2-4-18)15-34-10-13-36-14-11-34)32-24(21(31-22)19-5-9-28-33-19)30-20-6-12-37-16-26(20)7-8-26/h1-5,9,20H,6-8,10-16H2,(H2,27,35)(H,28,33)(H2,29,30,32)
• InChIKey: UWWQYVHCULYEHS-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 143.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.60
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)-6-(1H-pyrazol-5-yl)pyrazine-2-carboxamide?

The IUPAC name of 3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)-6-(1H-pyrazol-5-yl)pyrazine-2-carboxamide (CID 168769132) is 3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)-6-(1H-pyrazol-5-yl)pyrazine-2-carboxamide.

What is the SMILES notation for 3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)-6-(1H-pyrazol-5-yl)pyrazine-2-carboxamide?

The canonical SMILES for 3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)-6-(1H-pyrazol-5-yl)pyrazine-2-carboxamide is NC(=O)c1nc(-c2ccn[nH]2)c(NC2CCOCC23CC3)nc1Nc1ccc(CN2CCOCC2)cc1.

What is the InChIKey of 3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)-6-(1H-pyrazol-5-yl)pyrazine-2-carboxamide?

The InChIKey is UWWQYVHCULYEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O3/c27-23(35)22-25(29-18-3-1-17(2-4-18)15-34-10-13-36-14-11-34)32-24(21(31-22)19-5-9-28-33-19)30-20-6-12-37-16-26(20)7-8-26/h1-5,9,20H,6-8,10-16H2,(H2,27,35)(H,28,33)(H2,29,30,32).

What are the key properties of 3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)-6-(1H-pyrazol-5-yl)pyrazine-2-carboxamide?

3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)-6-(1H-pyrazol-5-yl)pyrazine-2-carboxamide has a molecular weight of 504.60 g/mol, XLogP of 2.52, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)-6-(1H-pyrazol-5-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 168769132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).