(R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone;molecular hydrogen

C38H32F2N10O2 — CID 158974041

IUPAC(R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone;molecular hydrogen
SMILESCc1cc(Nc2nc(C(=O)c3ccc(F)cc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc([C@H](O)c3ccc(F)cc3)nc3ccccc23)n[nH]1.[H][H]
InChIInChI=1S/C19H16FN5O.C19H14FN5O.H2/c2*1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12;/h2-10,17,26H,1H3,(H2,21,22,23,24,25);2-10H,1H3,(H2,21,22,23,24,25);1H/t17-;;/m1../s1
InChIKeyJODUDIFIMBNORK-ZEECNFPPSA-N
MW698.74 g/mol
LogP7.65
Rot. Bonds8

About (R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone;molecular hydrogen

(R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone;molecular hydrogen (PubChem CID 158974041) has the molecular formula C38H32F2N10O2 and a molecular weight of 698.74 g/mol. Its IUPAC name is (R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone;molecular hydrogen.

Molecular Properties

Compound Name(R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone;molecular hydrogen
PubChem CID158974041
Molecular FormulaC38H32F2N10O2
Molecular Weight698.74 g/mol
Exact Mass698.27
IUPAC Name(R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone;molecular hydrogen
SMILESCc1cc(Nc2nc(C(=O)c3ccc(F)cc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc([C@H](O)c3ccc(F)cc3)nc3ccccc23)n[nH]1.[H][H]
InChIInChI=1S/C19H16FN5O.C19H14FN5O.H2/c2*1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12;/h2-10,17,26H,1H3,(H2,21,22,23,24,25);2-10H,1H3,(H2,21,22,23,24,25);1H/t17-;;/m1../s1
InChIKeyJODUDIFIMBNORK-ZEECNFPPSA-N
XLogP7.65
TPSA170.28 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.74
LogP ≤ 57.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze (R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone;molecular hydrogen with MolForge

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Launch Full Analysis

Related Compounds

(S)-(4-Fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol
CID 56833308
(R)-(4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol
CID 56833309
Ac-430
CID 46892373
[5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol
CID 46892493
[7-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol
CID 46892496
[6-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol
CID 46893253
[8-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol
CID 46893385
(3-fluorophenyl)(4-(5-methyl-1H-pyrazol-3-ylamino)quinazolin-2-yl)methanol
CID 46893388
(3,4-difluorophenyl)(4-(5-methyl-1H-pyrazol-3-ylamino)quinazolin-2-yl)methanol
CID 46893390
(4-(5-ethyl-1H-pyrazol-3-ylamino)quinazolin-2-yl)(4-fluorophenyl)methanol
CID 46893653
(R)-[6-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol
CID 66613848
(S)-[6-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluorophenyl)methanol
CID 66613849

Frequently Asked Questions

What is the IUPAC name of (R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone;molecular hydrogen?
The IUPAC name of (R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone;molecular hydrogen (CID 158974041) is (R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone;molecular hydrogen.
What is the SMILES notation for (R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone;molecular hydrogen?
The canonical SMILES for (R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone;molecular hydrogen is Cc1cc(Nc2nc(C(=O)c3ccc(F)cc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc([C@H](O)c3ccc(F)cc3)nc3ccccc23)n[nH]1.[H][H].
What is the InChIKey of (R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone;molecular hydrogen?
The InChIKey is JODUDIFIMBNORK-ZEECNFPPSA-N. The full InChI is InChI=1S/C19H16FN5O.C19H14FN5O.H2/c2*1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12;/h2-10,17,26H,1H3,(H2,21,22,23,24,25);2-10H,1H3,(H2,21,22,23,24,25);1H/t17-;;/m1../s1.
What are the key properties of (R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone;molecular hydrogen?
(R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone;molecular hydrogen has a molecular weight of 698.74 g/mol, XLogP of 7.65, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone;molecular hydrogen is sourced from PubChem (CID 158974041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).