(4-fluorophenyl)-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl]carbamic acid

C20H17FN6O2 — CID 68787141

IUPAC(4-fluorophenyl)-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl]carbamic acid
SMILESCc1cc(Nc2nc(CN(C(=O)O)c3ccc(F)cc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C20H17FN6O2/c1-12-10-17(26-25-12)23-19-15-4-2-3-5-16(15)22-18(24-19)11-27(20(28)29)14-8-6-13(21)7-9-14/h2-10H,11H2,1H3,(H,28,29)(H2,22,23,24,25,26)
InChIKeyCUWXGLIARUBOGU-UHFFFAOYSA-N
MW392.39 g/mol
LogP4.23
Rot. Bonds5

About (4-fluorophenyl)-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl]carbamic acid

(4-fluorophenyl)-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl]carbamic acid (PubChem CID 68787141) has the molecular formula C20H17FN6O2 and a molecular weight of 392.39 g/mol. Its IUPAC name is (4-fluorophenyl)-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl]carbamic acid.

Molecular Properties

Compound Name(4-fluorophenyl)-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl]carbamic acid
PubChem CID68787141
Molecular FormulaC20H17FN6O2
Molecular Weight392.39 g/mol
Exact Mass392.14
IUPAC Name(4-fluorophenyl)-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl]carbamic acid
SMILESCc1cc(Nc2nc(CN(C(=O)O)c3ccc(F)cc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C20H17FN6O2/c1-12-10-17(26-25-12)23-19-15-4-2-3-5-16(15)22-18(24-19)11-27(20(28)29)14-8-6-13(21)7-9-14/h2-10H,11H2,1H3,(H,28,29)(H2,22,23,24,25,26)
InChIKeyCUWXGLIARUBOGU-UHFFFAOYSA-N
XLogP4.23
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl]carbamic acid?
The IUPAC name of (4-fluorophenyl)-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl]carbamic acid (CID 68787141) is (4-fluorophenyl)-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl]carbamic acid.
What is the SMILES notation for (4-fluorophenyl)-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl]carbamic acid?
The canonical SMILES for (4-fluorophenyl)-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl]carbamic acid is Cc1cc(Nc2nc(CN(C(=O)O)c3ccc(F)cc3)nc3ccccc23)n[nH]1.
What is the InChIKey of (4-fluorophenyl)-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl]carbamic acid?
The InChIKey is CUWXGLIARUBOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O2/c1-12-10-17(26-25-12)23-19-15-4-2-3-5-16(15)22-18(24-19)11-27(20(28)29)14-8-6-13(21)7-9-14/h2-10H,11H2,1H3,(H,28,29)(H2,22,23,24,25,26).
What are the key properties of (4-fluorophenyl)-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl]carbamic acid?
(4-fluorophenyl)-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl]carbamic acid has a molecular weight of 392.39 g/mol, XLogP of 4.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl]carbamic acid is sourced from PubChem (CID 68787141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).