(2R)-3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propane-1,2-diol

C15H17N5O2 — CID 137417579

IUPAC(2R)-3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propane-1,2-diol
SMILESNc1cc(NC[C@@H](O)CO)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C15H17N5O2/c16-15-6-13(17-7-10(22)8-21)11-2-1-9(5-14(11)19-15)12-3-4-18-20-12/h1-6,10,21-22H,7-8H2,(H,18,20)(H3,16,17,19)/t10-/m1/s1
InChIKeyGBAOGBKHTMDGNI-SNVBAGLBSA-N
MW299.33 g/mol
LogP0.97
Rot. Bonds5

About (2R)-3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propane-1,2-diol

(2R)-3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propane-1,2-diol (PubChem CID 137417579) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2R)-3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propane-1,2-diol
PubChem CID137417579
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name(2R)-3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propane-1,2-diol
SMILESNc1cc(NC[C@@H](O)CO)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C15H17N5O2/c16-15-6-13(17-7-10(22)8-21)11-2-1-9(5-14(11)19-15)12-3-4-18-20-12/h1-6,10,21-22H,7-8H2,(H,18,20)(H3,16,17,19)/t10-/m1/s1
InChIKeyGBAOGBKHTMDGNI-SNVBAGLBSA-N
XLogP0.97
TPSA120.08 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propane-1,2-diol?
The IUPAC name of (2R)-3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propane-1,2-diol (CID 137417579) is (2R)-3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propane-1,2-diol?
The canonical SMILES for (2R)-3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propane-1,2-diol is Nc1cc(NC[C@@H](O)CO)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of (2R)-3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propane-1,2-diol?
The InChIKey is GBAOGBKHTMDGNI-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17N5O2/c16-15-6-13(17-7-10(22)8-21)11-2-1-9(5-14(11)19-15)12-3-4-18-20-12/h1-6,10,21-22H,7-8H2,(H,18,20)(H3,16,17,19)/t10-/m1/s1.
What are the key properties of (2R)-3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propane-1,2-diol?
(2R)-3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propane-1,2-diol has a molecular weight of 299.33 g/mol, XLogP of 0.97, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propane-1,2-diol is sourced from PubChem (CID 137417579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).