(2R)-2-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]amino]propanoic acid

C22H21FN4O2 — CID 156879875

IUPAC(2R)-2-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]amino]propanoic acid
SMILESCC(C)c1c(N[C@H](C)C(=O)O)nc2cc3[nH]ncc3cc2c1-c1ccc(F)cc1
InChIInChI=1S/C22H21FN4O2/c1-11(2)19-20(13-4-6-15(23)7-5-13)16-8-14-10-24-27-17(14)9-18(16)26-21(19)25-12(3)22(28)29/h4-12H,1-3H3,(H,24,27)(H,25,26)(H,28,29)/t12-/m1/s1
InChIKeyZNWLSOSUIHTSAG-GFCCVEGCSA-N
MW392.43 g/mol
LogP4.93
Rot. Bonds5

About (2R)-2-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]amino]propanoic acid

(2R)-2-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]amino]propanoic acid (PubChem CID 156879875) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is (2R)-2-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]amino]propanoic acid
PubChem CID156879875
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name(2R)-2-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]amino]propanoic acid
SMILESCC(C)c1c(N[C@H](C)C(=O)O)nc2cc3[nH]ncc3cc2c1-c1ccc(F)cc1
InChIInChI=1S/C22H21FN4O2/c1-11(2)19-20(13-4-6-15(23)7-5-13)16-8-14-10-24-27-17(14)9-18(16)26-21(19)25-12(3)22(28)29/h4-12H,1-3H3,(H,24,27)(H,25,26)(H,28,29)/t12-/m1/s1
InChIKeyZNWLSOSUIHTSAG-GFCCVEGCSA-N
XLogP4.93
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]amino]propanoic acid (CID 156879875) is (2R)-2-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]amino]propanoic acid is CC(C)c1c(N[C@H](C)C(=O)O)nc2cc3[nH]ncc3cc2c1-c1ccc(F)cc1.
What is the InChIKey of (2R)-2-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]amino]propanoic acid?
The InChIKey is ZNWLSOSUIHTSAG-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-11(2)19-20(13-4-6-15(23)7-5-13)16-8-14-10-24-27-17(14)9-18(16)26-21(19)25-12(3)22(28)29/h4-12H,1-3H3,(H,24,27)(H,25,26)(H,28,29)/t12-/m1/s1.
What are the key properties of (2R)-2-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]amino]propanoic acid?
(2R)-2-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]amino]propanoic acid has a molecular weight of 392.43 g/mol, XLogP of 4.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]amino]propanoic acid is sourced from PubChem (CID 156879875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).