(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

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

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Related Compounds

ethane;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine
CID 142517054
4-N-(2-methyl-2-methylsulfinylpropyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
CID 142517015
4-N-[2-[amino-[(Z)-2-aminoprop-1-enyl]amino]ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
CID 142517047
7-(1H-pyrazol-5-yl)-4-N-(2-pyridin-2-ylethyl)quinoline-2,4-diamine
CID 137417608
7-(1H-pyrazol-5-yl)-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine
CID 137417972
2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propane-1,3-diol
CID 154649335
4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
CID 137417642
3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropan-1-ol
CID 137417812
1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-2-ol
CID 154998317
7-(1H-pyrazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]quinoline-2,4-diamine
CID 137417936
4-N-(3-aminopropyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-N,N-dimethylpentanamide;deuterio(fluoro)methane
CID 159663075
(2R)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-3-morpholin-4-ylpropan-2-ol
CID 137409151

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).