5-[(6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-N-methylpyridine-2-carboxamide

C22H25N7O2 — CID 170058837

IUPAC5-[(6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-N-methylpyridine-2-carboxamide
SMILESCCc1nc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)C4C[C@@H]43)cc2[nH]c1=O
InChIInChI=1S/C22H25N7O2/c1-3-15-22(31)27-17-8-13(10-25-20(17)26-15)12-28-6-7-29(19-9-18(19)28)14-4-5-16(24-11-14)21(30)23-2/h4-5,8,10-11,18-19H,3,6-7,9,12H2,1-2H3,(H,23,30)(H,27,31)/t18-,19?/m0/s1
InChIKeyMBHKTNPQYPMZCA-OYKVQYDMSA-N
MW419.49 g/mol
LogP1.10
Rot. Bonds5

About 5-[(6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-N-methylpyridine-2-carboxamide

5-[(6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-N-methylpyridine-2-carboxamide (PubChem CID 170058837) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 5-[(6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-N-methylpyridine-2-carboxamide
PubChem CID170058837
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name5-[(6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-N-methylpyridine-2-carboxamide
SMILESCCc1nc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)C4C[C@@H]43)cc2[nH]c1=O
InChIInChI=1S/C22H25N7O2/c1-3-15-22(31)27-17-8-13(10-25-20(17)26-15)12-28-6-7-29(19-9-18(19)28)14-4-5-16(24-11-14)21(30)23-2/h4-5,8,10-11,18-19H,3,6-7,9,12H2,1-2H3,(H,23,30)(H,27,31)/t18-,19?/m0/s1
InChIKeyMBHKTNPQYPMZCA-OYKVQYDMSA-N
XLogP1.10
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[(6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

5-[(1S,6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide
CID 170056471
N-methyl-5-[(1S,6R)-5-[(6-oxo-5,7,8,9-tetrahydrocyclopenta[c][1,5]naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]pyridine-2-carboxamide
CID 176817115
5-[5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide
CID 170056342
5-[5-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-N-methylpyridine-2-carboxamide
CID 168900152
5-[(1R,6S)-5-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide
CID 170056542
5-[5-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-N-methylpyridine-2-carboxamide
CID 169189610
N-methyl-5-[(1R,6S)-5-[(6-oxo-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]pyridine-2-carboxamide
CID 168984419
5-[(1S,6R)-5-[(3-ethyl-8-methyl-2-oxo-1H-quinolin-7-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide
CID 170056980
5-[6-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-methylpyridine-2-carboxamide
CID 171445036
5-[(2R)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 167179049
5-[5-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide
CID 170056684
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901

Frequently Asked Questions

What is the IUPAC name of 5-[(6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[(6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-N-methylpyridine-2-carboxamide (CID 170058837) is 5-[(6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[(6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[(6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-N-methylpyridine-2-carboxamide is CCc1nc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)C4C[C@@H]43)cc2[nH]c1=O.
What is the InChIKey of 5-[(6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is MBHKTNPQYPMZCA-OYKVQYDMSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-3-15-22(31)27-17-8-13(10-25-20(17)26-15)12-28-6-7-29(19-9-18(19)28)14-4-5-16(24-11-14)21(30)23-2/h4-5,8,10-11,18-19H,3,6-7,9,12H2,1-2H3,(H,23,30)(H,27,31)/t18-,19?/m0/s1.
What are the key properties of 5-[(6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-N-methylpyridine-2-carboxamide?
5-[(6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 170058837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).