N'-[2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine

C24H28FN7 — CID 70889465

IUPACN'-[2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)c1nc([C@H](N)Cc2cccc(F)c2)nc2ccc(-c3cn[nH]c3)cc12
InChIInChI=1S/C24H28FN7/c1-31(2)9-10-32(3)24-20-13-17(18-14-27-28-15-18)7-8-22(20)29-23(30-24)21(26)12-16-5-4-6-19(25)11-16/h4-8,11,13-15,21H,9-10,12,26H2,1-3H3,(H,27,28)/t21-/m1/s1
InChIKeyRMLVHGIFSMSTPF-OAQYLSRUSA-N
MW433.54 g/mol
LogP3.40
Rot. Bonds8

About N'-[2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine

N'-[2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 70889465) has the molecular formula C24H28FN7 and a molecular weight of 433.54 g/mol. Its IUPAC name is N'-[2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID70889465
Molecular FormulaC24H28FN7
Molecular Weight433.54 g/mol
Exact Mass433.24
IUPAC NameN'-[2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)c1nc([C@H](N)Cc2cccc(F)c2)nc2ccc(-c3cn[nH]c3)cc12
InChIInChI=1S/C24H28FN7/c1-31(2)9-10-32(3)24-20-13-17(18-14-27-28-15-18)7-8-22(20)29-23(30-24)21(26)12-16-5-4-6-19(25)11-16/h4-8,11,13-15,21H,9-10,12,26H2,1-3H3,(H,27,28)/t21-/m1/s1
InChIKeyRMLVHGIFSMSTPF-OAQYLSRUSA-N
XLogP3.40
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N'-[2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine (CID 70889465) is N'-[2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)c1nc([C@H](N)Cc2cccc(F)c2)nc2ccc(-c3cn[nH]c3)cc12.
What is the InChIKey of N'-[2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is RMLVHGIFSMSTPF-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H28FN7/c1-31(2)9-10-32(3)24-20-13-17(18-14-27-28-15-18)7-8-22(20)29-23(30-24)21(26)12-16-5-4-6-19(25)11-16/h4-8,11,13-15,21H,9-10,12,26H2,1-3H3,(H,27,28)/t21-/m1/s1.
What are the key properties of N'-[2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 433.54 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 70889465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).