3-azabicyclo[3.1.0]hexane;6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one

C26H28ClN7O — CID 144780038

IUPAC3-azabicyclo[3.1.0]hexane;6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESC1NCC2CC12.CCNc1ncc2cc(-c3ccc(-c4cncc(C)n4)cc3Cl)c(=O)n(C)c2n1
InChIInChI=1S/C21H19ClN6O.C5H9N/c1-4-24-21-25-10-14-7-16(20(29)28(3)19(14)27-21)15-6-5-13(8-17(15)22)18-11-23-9-12(2)26-18;1-4-2-6-3-5(1)4/h5-11H,4H2,1-3H3,(H,24,25,27);4-6H,1-3H2
InChIKeyGTZZAPSAYVVJTH-UHFFFAOYSA-N
MW490.01 g/mol
LogP4.07
Rot. Bonds4

About 3-azabicyclo[3.1.0]hexane;6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one

3-azabicyclo[3.1.0]hexane;6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 144780038) has the molecular formula C26H28ClN7O and a molecular weight of 490.01 g/mol. Its IUPAC name is 3-azabicyclo[3.1.0]hexane;6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name3-azabicyclo[3.1.0]hexane;6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID144780038
Molecular FormulaC26H28ClN7O
Molecular Weight490.01 g/mol
Exact Mass489.20
IUPAC Name3-azabicyclo[3.1.0]hexane;6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESC1NCC2CC12.CCNc1ncc2cc(-c3ccc(-c4cncc(C)n4)cc3Cl)c(=O)n(C)c2n1
InChIInChI=1S/C21H19ClN6O.C5H9N/c1-4-24-21-25-10-14-7-16(20(29)28(3)19(14)27-21)15-6-5-13(8-17(15)22)18-11-23-9-12(2)26-18;1-4-2-6-3-5(1)4/h5-11H,4H2,1-3H3,(H,24,25,27);4-6H,1-3H2
InChIKeyGTZZAPSAYVVJTH-UHFFFAOYSA-N
XLogP4.07
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.01
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-azabicyclo[3.1.0]hexane;6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-[(3R)-3,4-dihydroxybutyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 90467217
6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)-8-[(2-oxopiperidin-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 127028470
6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-[2-(1-iodopiperidin-4-yl)ethylamino]pyrido[2,3-d]pyrimidin-7-one
CID 166170812
6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-(3,4-dihydroxybutyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
CID 90467066
6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-[(3-methyloxetan-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 123751190
8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
CID 71556934
6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 71559274
2-[(4-aminocyclohexyl)methylamino]-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 142118156
6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-methyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 89474124
6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 89474122
8-(4-aminobutyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
CID 166451136
3-chloro-4-[8-[(5,5-difluoropiperidin-3-yl)methyl]-2-(ethylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]-N-propan-2-ylbenzenesulfonamide
CID 86281205

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.1.0]hexane;6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 3-azabicyclo[3.1.0]hexane;6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 144780038) is 3-azabicyclo[3.1.0]hexane;6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 3-azabicyclo[3.1.0]hexane;6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 3-azabicyclo[3.1.0]hexane;6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one is C1NCC2CC12.CCNc1ncc2cc(-c3ccc(-c4cncc(C)n4)cc3Cl)c(=O)n(C)c2n1.
What is the InChIKey of 3-azabicyclo[3.1.0]hexane;6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GTZZAPSAYVVJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O.C5H9N/c1-4-24-21-25-10-14-7-16(20(29)28(3)19(14)27-21)15-6-5-13(8-17(15)22)18-11-23-9-12(2)26-18;1-4-2-6-3-5(1)4/h5-11H,4H2,1-3H3,(H,24,25,27);4-6H,1-3H2.
What are the key properties of 3-azabicyclo[3.1.0]hexane;6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
3-azabicyclo[3.1.0]hexane;6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 490.01 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.1.0]hexane;6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 144780038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).