2-[3-methoxy-4-[[4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propane-1,3-diol

C19H19N7O4 — CID 170382577

IUPAC2-[3-methoxy-4-[[4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propane-1,3-diol
SMILESCOc1nn(C(CO)CO)cc1Nc1nccc(-c2cccc(-c3ccon3)n2)n1
InChIInChI=1S/C19H19N7O4/c1-29-18-17(9-26(24-18)12(10-27)11-28)23-19-20-7-5-15(22-19)13-3-2-4-14(21-13)16-6-8-30-25-16/h2-9,12,27-28H,10-11H2,1H3,(H,20,22,23)
InChIKeyDZULBPLSNFRENC-UHFFFAOYSA-N
MW409.41 g/mol
LogP1.67
Rot. Bonds8

About 2-[3-methoxy-4-[[4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propane-1,3-diol

2-[3-methoxy-4-[[4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propane-1,3-diol (PubChem CID 170382577) has the molecular formula C19H19N7O4 and a molecular weight of 409.41 g/mol. Its IUPAC name is 2-[3-methoxy-4-[[4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propane-1,3-diol.

Molecular Properties

Compound Name2-[3-methoxy-4-[[4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propane-1,3-diol
PubChem CID170382577
Molecular FormulaC19H19N7O4
Molecular Weight409.41 g/mol
Exact Mass409.15
IUPAC Name2-[3-methoxy-4-[[4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propane-1,3-diol
SMILESCOc1nn(C(CO)CO)cc1Nc1nccc(-c2cccc(-c3ccon3)n2)n1
InChIInChI=1S/C19H19N7O4/c1-29-18-17(9-26(24-18)12(10-27)11-28)23-19-20-7-5-15(22-19)13-3-2-4-14(21-13)16-6-8-30-25-16/h2-9,12,27-28H,10-11H2,1H3,(H,20,22,23)
InChIKeyDZULBPLSNFRENC-UHFFFAOYSA-N
XLogP1.67
TPSA144.24 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.41
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-[3-methoxy-4-[[4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propane-1,3-diol with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine
CID 170573643
4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-propylpyrimidin-2-amine
CID 170573663
N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]propanamide
CID 126735520
N-[1-(2-methyl-1,5-dihydropyrazol-5-yl)ethyl]-4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine
CID 170382755
4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine
CID 170383544
CID 170573475
CID 170573475
2-bromo-N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]propanamide
CID 126720790
(3R)-3-hydroxy-3-[3-[6-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
CID 177263131
4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine
CID 170573377
3-hydroxy-1-methylpyrrolidin-2-one;4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine
CID 170573453
(3R)-3-[3-[4-[2-[(1-ethyl-3-methoxypyrazol-4-yl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 177281704
3-[3-[6-[2-[[1-(difluoromethyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170326990

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-[[4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propane-1,3-diol?
The IUPAC name of 2-[3-methoxy-4-[[4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propane-1,3-diol (CID 170382577) is 2-[3-methoxy-4-[[4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propane-1,3-diol.
What is the SMILES notation for 2-[3-methoxy-4-[[4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propane-1,3-diol?
The canonical SMILES for 2-[3-methoxy-4-[[4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propane-1,3-diol is COc1nn(C(CO)CO)cc1Nc1nccc(-c2cccc(-c3ccon3)n2)n1.
What is the InChIKey of 2-[3-methoxy-4-[[4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propane-1,3-diol?
The InChIKey is DZULBPLSNFRENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O4/c1-29-18-17(9-26(24-18)12(10-27)11-28)23-19-20-7-5-15(22-19)13-3-2-4-14(21-13)16-6-8-30-25-16/h2-9,12,27-28H,10-11H2,1H3,(H,20,22,23).
What are the key properties of 2-[3-methoxy-4-[[4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propane-1,3-diol?
2-[3-methoxy-4-[[4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propane-1,3-diol has a molecular weight of 409.41 g/mol, XLogP of 1.67, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-[[4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propane-1,3-diol is sourced from PubChem (CID 170382577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).