(4R)-4-[3-[6-[2-[(1,5-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-4-hydroxy-2-methyl-2-azabicyclo[3.1.0]hexan-3-one

C23H22N8O3 — CID 170385337

IUPAC(4R)-4-[3-[6-[2-[(1,5-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-4-hydroxy-2-methyl-2-azabicyclo[3.1.0]hexan-3-one
SMILESCc1c(Nc2nccc(-c3cccc(-c4cc([C@@]5(O)C(=O)N(C)C6CC65)on4)n3)n2)cnn1C
InChIInChI=1S/C23H22N8O3/c1-12-18(11-25-31(12)3)28-22-24-8-7-16(27-22)14-5-4-6-15(26-14)17-10-20(34-29-17)23(33)13-9-19(13)30(2)21(23)32/h4-8,10-11,13,19,33H,9H2,1-3H3,(H,24,27,28)/t13?,19?,23-/m1/s1
InChIKeyDUNRZJADNJIOOL-POOZFJOTSA-N
MW458.48 g/mol
LogP2.03
Rot. Bonds5

About (4R)-4-[3-[6-[2-[(1,5-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-4-hydroxy-2-methyl-2-azabicyclo[3.1.0]hexan-3-one

(4R)-4-[3-[6-[2-[(1,5-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-4-hydroxy-2-methyl-2-azabicyclo[3.1.0]hexan-3-one (PubChem CID 170385337) has the molecular formula C23H22N8O3 and a molecular weight of 458.48 g/mol. Its IUPAC name is (4R)-4-[3-[6-[2-[(1,5-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-4-hydroxy-2-methyl-2-azabicyclo[3.1.0]hexan-3-one.

Molecular Properties

Compound Name(4R)-4-[3-[6-[2-[(1,5-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-4-hydroxy-2-methyl-2-azabicyclo[3.1.0]hexan-3-one
PubChem CID170385337
Molecular FormulaC23H22N8O3
Molecular Weight458.48 g/mol
Exact Mass458.18
IUPAC Name(4R)-4-[3-[6-[2-[(1,5-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-4-hydroxy-2-methyl-2-azabicyclo[3.1.0]hexan-3-one
SMILESCc1c(Nc2nccc(-c3cccc(-c4cc([C@@]5(O)C(=O)N(C)C6CC65)on4)n3)n2)cnn1C
InChIInChI=1S/C23H22N8O3/c1-12-18(11-25-31(12)3)28-22-24-8-7-16(27-22)14-5-4-6-15(26-14)17-10-20(34-29-17)23(33)13-9-19(13)30(2)21(23)32/h4-8,10-11,13,19,33H,9H2,1-3H3,(H,24,27,28)/t13?,19?,23-/m1/s1
InChIKeyDUNRZJADNJIOOL-POOZFJOTSA-N
XLogP2.03
TPSA135.09 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (4R)-4-[3-[6-[2-[(1,5-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-4-hydroxy-2-methyl-2-azabicyclo[3.1.0]hexan-3-one with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-[3-[6-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170380295
(3R)-3-[3-[6-[2-[(5-chloro-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170380619
(3R)-4,4-difluoro-3-hydroxy-3-[3-[6-[2-[[1-(2-hydroxy-2-methylpropyl)-5-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
CID 170380436
(3R)-3-[5-[6-[2-[(5-chloro-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170573518
3-[3-[6-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170377252
(3R)-3-hydroxy-1-methyl-3-[3-[6-[2-[(5-methyl-1,2,4-triazin-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170385783
3-hydroxy-1-methyl-3-[3-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrrolidin-2-one
CID 177263075
(3R)-3-hydroxy-1-methyl-3-[3-[6-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170380496
(3R)-3-hydroxy-1-methyl-3-[3-[6-[2-[(1-methyl-1,2,4-triazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170380706
3-hydroxy-1-methyl-3-[3-[6-[2-[[5-(5-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326826
3-[3-[6-[2-[(5-fluoro-2-pyridinyl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170377444
4-[[4-[6-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrimidin-2-yl]amino]pyridine-3-carbonitrile
CID 170380608

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-[6-[2-[(1,5-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-4-hydroxy-2-methyl-2-azabicyclo[3.1.0]hexan-3-one?
The IUPAC name of (4R)-4-[3-[6-[2-[(1,5-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-4-hydroxy-2-methyl-2-azabicyclo[3.1.0]hexan-3-one (CID 170385337) is (4R)-4-[3-[6-[2-[(1,5-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-4-hydroxy-2-methyl-2-azabicyclo[3.1.0]hexan-3-one.
What is the SMILES notation for (4R)-4-[3-[6-[2-[(1,5-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-4-hydroxy-2-methyl-2-azabicyclo[3.1.0]hexan-3-one?
The canonical SMILES for (4R)-4-[3-[6-[2-[(1,5-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-4-hydroxy-2-methyl-2-azabicyclo[3.1.0]hexan-3-one is Cc1c(Nc2nccc(-c3cccc(-c4cc([C@@]5(O)C(=O)N(C)C6CC65)on4)n3)n2)cnn1C.
What is the InChIKey of (4R)-4-[3-[6-[2-[(1,5-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-4-hydroxy-2-methyl-2-azabicyclo[3.1.0]hexan-3-one?
The InChIKey is DUNRZJADNJIOOL-POOZFJOTSA-N. The full InChI is InChI=1S/C23H22N8O3/c1-12-18(11-25-31(12)3)28-22-24-8-7-16(27-22)14-5-4-6-15(26-14)17-10-20(34-29-17)23(33)13-9-19(13)30(2)21(23)32/h4-8,10-11,13,19,33H,9H2,1-3H3,(H,24,27,28)/t13?,19?,23-/m1/s1.
What are the key properties of (4R)-4-[3-[6-[2-[(1,5-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-4-hydroxy-2-methyl-2-azabicyclo[3.1.0]hexan-3-one?
(4R)-4-[3-[6-[2-[(1,5-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-4-hydroxy-2-methyl-2-azabicyclo[3.1.0]hexan-3-one has a molecular weight of 458.48 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-[6-[2-[(1,5-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-4-hydroxy-2-methyl-2-azabicyclo[3.1.0]hexan-3-one is sourced from PubChem (CID 170385337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).