(2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methoxyquinazolin-2-yl]amino]-2-(4-fluorophenyl)ethanol

C23H23FN6O2 — CID 68900617

IUPAC(2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methoxyquinazolin-2-yl]amino]-2-(4-fluorophenyl)ethanol
SMILESCOc1ccc2nc(N[C@@H](CO)c3ccc(F)cc3)nc(Nc3cc(C4CC4)[nH]n3)c2c1
InChIInChI=1S/C23H23FN6O2/c1-32-16-8-9-18-17(10-16)22(27-21-11-19(29-30-21)13-2-3-13)28-23(25-18)26-20(12-31)14-4-6-15(24)7-5-14/h4-11,13,20,31H,2-3,12H2,1H3,(H3,25,26,27,28,29,30)/t20-/m0/s1
InChIKeyLNZFMVBUPAVJRJ-FQEVSTJZSA-N
MW434.48 g/mol
LogP4.27
Rot. Bonds8

About (2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methoxyquinazolin-2-yl]amino]-2-(4-fluorophenyl)ethanol

(2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methoxyquinazolin-2-yl]amino]-2-(4-fluorophenyl)ethanol (PubChem CID 68900617) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is (2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methoxyquinazolin-2-yl]amino]-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methoxyquinazolin-2-yl]amino]-2-(4-fluorophenyl)ethanol
PubChem CID68900617
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name(2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methoxyquinazolin-2-yl]amino]-2-(4-fluorophenyl)ethanol
SMILESCOc1ccc2nc(N[C@@H](CO)c3ccc(F)cc3)nc(Nc3cc(C4CC4)[nH]n3)c2c1
InChIInChI=1S/C23H23FN6O2/c1-32-16-8-9-18-17(10-16)22(27-21-11-19(29-30-21)13-2-3-13)28-23(25-18)26-20(12-31)14-4-6-15(24)7-5-14/h4-11,13,20,31H,2-3,12H2,1H3,(H3,25,26,27,28,29,30)/t20-/m0/s1
InChIKeyLNZFMVBUPAVJRJ-FQEVSTJZSA-N
XLogP4.27
TPSA107.98 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 54.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methoxyquinazolin-2-yl]amino]-2-(4-fluorophenyl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-amine
CID 46239329
[1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-yl]methanamine
CID 57393964
(2-fluoro-4-pyridinyl)-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methanol
CID 57402038
N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyquinazolin-4-amine
CID 9901505
Ras/Rac Transformation Blocker, SCH 51344
CID 9995890
6-(2,4-difluorophenoxy)-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 11610032
6-(2,6-Difluorophenoxy)-N-(1-methyl-pyrazol-3-yl)-quinazolin-4-yl-amine
CID 23160266
3-[[4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazolin-2-yl]amino]propan-1-ol
CID 117988568
1-(4-methoxy-2-methylphenyl)-N-((S)-1-methoxybutan-2-yl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 45485009
1-(4-methoxy-2-methylphenyl)-N-((R)-1-methoxybutan-2-yl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 45485034
(2R)-2-(1-(4-methoxy-2-methylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)pentan-1-ol
CID 45485035
(2S)-2-(1-(4-methoxy-2-methylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)pentan-1-ol
CID 45485042

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methoxyquinazolin-2-yl]amino]-2-(4-fluorophenyl)ethanol?
The IUPAC name of (2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methoxyquinazolin-2-yl]amino]-2-(4-fluorophenyl)ethanol (CID 68900617) is (2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methoxyquinazolin-2-yl]amino]-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for (2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methoxyquinazolin-2-yl]amino]-2-(4-fluorophenyl)ethanol?
The canonical SMILES for (2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methoxyquinazolin-2-yl]amino]-2-(4-fluorophenyl)ethanol is COc1ccc2nc(N[C@@H](CO)c3ccc(F)cc3)nc(Nc3cc(C4CC4)[nH]n3)c2c1.
What is the InChIKey of (2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methoxyquinazolin-2-yl]amino]-2-(4-fluorophenyl)ethanol?
The InChIKey is LNZFMVBUPAVJRJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-32-16-8-9-18-17(10-16)22(27-21-11-19(29-30-21)13-2-3-13)28-23(25-18)26-20(12-31)14-4-6-15(24)7-5-14/h4-11,13,20,31H,2-3,12H2,1H3,(H3,25,26,27,28,29,30)/t20-/m0/s1.
What are the key properties of (2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methoxyquinazolin-2-yl]amino]-2-(4-fluorophenyl)ethanol?
(2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methoxyquinazolin-2-yl]amino]-2-(4-fluorophenyl)ethanol has a molecular weight of 434.48 g/mol, XLogP of 4.27, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methoxyquinazolin-2-yl]amino]-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 68900617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).