(2R)-3-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propane-1,2-diol

C21H23N7O2 — CID 121357786

IUPAC(2R)-3-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propane-1,2-diol
SMILESCn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NC[C@@H](O)CO)n3)c2)cn1
InChIInChI=1S/C21H23N7O2/c1-27-7-6-19(26-27)18-11-23-20(25-21(18)22-10-17(30)13-29)15-5-3-4-14(8-15)16-9-24-28(2)12-16/h3-9,11-12,17,29-30H,10,13H2,1-2H3,(H,22,23,25)/t17-/m1/s1
InChIKeyZXICHULZXNAPKS-QGZVFWFLSA-N
MW405.46 g/mol
LogP1.71
Rot. Bonds7

About (2R)-3-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propane-1,2-diol

(2R)-3-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propane-1,2-diol (PubChem CID 121357786) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is (2R)-3-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propane-1,2-diol
PubChem CID121357786
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name(2R)-3-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propane-1,2-diol
SMILESCn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NC[C@@H](O)CO)n3)c2)cn1
InChIInChI=1S/C21H23N7O2/c1-27-7-6-19(26-27)18-11-23-20(25-21(18)22-10-17(30)13-29)15-5-3-4-14(8-15)16-9-24-28(2)12-16/h3-9,11-12,17,29-30H,10,13H2,1-2H3,(H,22,23,25)/t17-/m1/s1
InChIKeyZXICHULZXNAPKS-QGZVFWFLSA-N
XLogP1.71
TPSA113.91 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2R)-3-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propane-1,2-diol?
The IUPAC name of (2R)-3-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propane-1,2-diol (CID 121357786) is (2R)-3-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propane-1,2-diol?
The canonical SMILES for (2R)-3-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propane-1,2-diol is Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NC[C@@H](O)CO)n3)c2)cn1.
What is the InChIKey of (2R)-3-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propane-1,2-diol?
The InChIKey is ZXICHULZXNAPKS-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-27-7-6-19(26-27)18-11-23-20(25-21(18)22-10-17(30)13-29)15-5-3-4-14(8-15)16-9-24-28(2)12-16/h3-9,11-12,17,29-30H,10,13H2,1-2H3,(H,22,23,25)/t17-/m1/s1.
What are the key properties of (2R)-3-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propane-1,2-diol?
(2R)-3-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propane-1,2-diol has a molecular weight of 405.46 g/mol, XLogP of 1.71, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propane-1,2-diol is sourced from PubChem (CID 121357786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).