N-methyl-2-[6-(pyrazin-2-ylamino)-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide

C24H28N8O — CID 166061302

IUPACN-methyl-2-[6-(pyrazin-2-ylamino)-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide
SMILESCNC(=O)C1CCCC2(CCN(c3cc(Nc4cnccn4)nc(-c4cccnc4)n3)C2)C1
InChIInChI=1S/C24H28N8O/c1-25-23(33)17-4-2-6-24(13-17)7-11-32(16-24)21-12-19(29-20-15-27-9-10-28-20)30-22(31-21)18-5-3-8-26-14-18/h3,5,8-10,12,14-15,17H,2,4,6-7,11,13,16H2,1H3,(H,25,33)(H,28,29,30,31)
InChIKeyZHRNMMBWQCFTPB-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.20
Rot. Bonds5

About N-methyl-2-[6-(pyrazin-2-ylamino)-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide

N-methyl-2-[6-(pyrazin-2-ylamino)-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide (PubChem CID 166061302) has the molecular formula C24H28N8O and a molecular weight of 444.54 g/mol. Its IUPAC name is N-methyl-2-[6-(pyrazin-2-ylamino)-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[6-(pyrazin-2-ylamino)-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide
PubChem CID166061302
Molecular FormulaC24H28N8O
Molecular Weight444.54 g/mol
Exact Mass444.24
IUPAC NameN-methyl-2-[6-(pyrazin-2-ylamino)-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide
SMILESCNC(=O)C1CCCC2(CCN(c3cc(Nc4cnccn4)nc(-c4cccnc4)n3)C2)C1
InChIInChI=1S/C24H28N8O/c1-25-23(33)17-4-2-6-24(13-17)7-11-32(16-24)21-12-19(29-20-15-27-9-10-28-20)30-22(31-21)18-5-3-8-26-14-18/h3,5,8-10,12,14-15,17H,2,4,6-7,11,13,16H2,1H3,(H,25,33)(H,28,29,30,31)
InChIKeyZHRNMMBWQCFTPB-UHFFFAOYSA-N
XLogP3.20
TPSA108.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[6-(pyrazin-2-ylamino)-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide?
The IUPAC name of N-methyl-2-[6-(pyrazin-2-ylamino)-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide (CID 166061302) is N-methyl-2-[6-(pyrazin-2-ylamino)-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for N-methyl-2-[6-(pyrazin-2-ylamino)-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for N-methyl-2-[6-(pyrazin-2-ylamino)-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide is CNC(=O)C1CCCC2(CCN(c3cc(Nc4cnccn4)nc(-c4cccnc4)n3)C2)C1.
What is the InChIKey of N-methyl-2-[6-(pyrazin-2-ylamino)-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide?
The InChIKey is ZHRNMMBWQCFTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O/c1-25-23(33)17-4-2-6-24(13-17)7-11-32(16-24)21-12-19(29-20-15-27-9-10-28-20)30-22(31-21)18-5-3-8-26-14-18/h3,5,8-10,12,14-15,17H,2,4,6-7,11,13,16H2,1H3,(H,25,33)(H,28,29,30,31).
What are the key properties of N-methyl-2-[6-(pyrazin-2-ylamino)-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide?
N-methyl-2-[6-(pyrazin-2-ylamino)-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[6-(pyrazin-2-ylamino)-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 166061302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).