(3R)-6-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one

C22H27N7O — CID 166661194

IUPAC(3R)-6-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one
SMILESCc1nn(C)cc1-c1ccnc(Nc2ccc3c(c2)N(C(C)C)[C@H](C)C(=O)N3C)n1
InChIInChI=1S/C22H27N7O/c1-13(2)29-15(4)21(30)28(6)19-8-7-16(11-20(19)29)24-22-23-10-9-18(25-22)17-12-27(5)26-14(17)3/h7-13,15H,1-6H3,(H,23,24,25)/t15-/m1/s1
InChIKeyDVXVGILCHCLRNN-OAHLLOKOSA-N
MW405.51 g/mol
LogP3.51
Rot. Bonds4

About (3R)-6-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one

(3R)-6-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one (PubChem CID 166661194) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is (3R)-6-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name(3R)-6-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one
PubChem CID166661194
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC Name(3R)-6-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one
SMILESCc1nn(C)cc1-c1ccnc(Nc2ccc3c(c2)N(C(C)C)[C@H](C)C(=O)N3C)n1
InChIInChI=1S/C22H27N7O/c1-13(2)29-15(4)21(30)28(6)19-8-7-16(11-20(19)29)24-22-23-10-9-18(25-22)17-12-27(5)26-14(17)3/h7-13,15H,1-6H3,(H,23,24,25)/t15-/m1/s1
InChIKeyDVXVGILCHCLRNN-OAHLLOKOSA-N
XLogP3.51
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-6-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3R)-1,3-dimethyl-6-[[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]amino]-4-propan-2-yl-3H-quinoxalin-2-one
CID 163805975
(3R)-1,3-dimethyl-4-propan-2-yl-6-[(4-pyridin-4-ylpyrimidin-2-yl)amino]-3H-quinoxalin-2-one
CID 162649888
6-[[4-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one
CID 166661267
(3R)-1,3-dimethyl-6-[[4-[3-(methylamino)phenyl]pyrimidin-2-yl]amino]-4-propan-2-yl-3H-quinoxalin-2-one
CID 162662089
(3R)-6-[[4-(3-aminophenyl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one
CID 162655674
6-[[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one
CID 166661212
(3R)-6-[[4-[3-(cyclopentylamino)phenyl]pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one
CID 160873916
N-(3,4-dichlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine
CID 66503169
1,3-dimethyl-6-[[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)amino]pyrimidin-2-yl]amino]-4-propan-2-yl-3H-quinoxalin-2-one
CID 166661400
6-[(5-chloro-4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one
CID 166661383
N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-methylquinazolin-2-amine
CID 66503004
tert-butyl N-[5-[2-[(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)amino]-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate
CID 166661284

Frequently Asked Questions

What is the IUPAC name of (3R)-6-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one?
The IUPAC name of (3R)-6-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one (CID 166661194) is (3R)-6-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one.
What is the SMILES notation for (3R)-6-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one?
The canonical SMILES for (3R)-6-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one is Cc1nn(C)cc1-c1ccnc(Nc2ccc3c(c2)N(C(C)C)[C@H](C)C(=O)N3C)n1.
What is the InChIKey of (3R)-6-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one?
The InChIKey is DVXVGILCHCLRNN-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H27N7O/c1-13(2)29-15(4)21(30)28(6)19-8-7-16(11-20(19)29)24-22-23-10-9-18(25-22)17-12-27(5)26-14(17)3/h7-13,15H,1-6H3,(H,23,24,25)/t15-/m1/s1.
What are the key properties of (3R)-6-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one?
(3R)-6-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one has a molecular weight of 405.51 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one is sourced from PubChem (CID 166661194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).