5-[[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]amino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid

C28H30F3N7O4 — CID 167760317

IUPAC5-[[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]amino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC1CCc2nc(NCc3cc(C(N)=O)co3)nc(NCc3cccc(-c4cnn(C)c4)c3)c2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H29N7O2.C2HF3O2/c1-16-6-7-23-22(8-16)25(32-26(31-23)29-13-21-10-19(15-35-21)24(27)34)28-11-17-4-3-5-18(9-17)20-12-30-33(2)14-20;3-2(4,5)1(6)7/h3-5,9-10,12,14-16H,6-8,11,13H2,1-2H3,(H2,27,34)(H2,28,29,31,32);(H,6,7)
InChIKeyUQHJIHFAMCGIDN-UHFFFAOYSA-N
MW585.59 g/mol
LogP4.55
Rot. Bonds8

About 5-[[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]amino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid

5-[[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]amino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 167760317) has the molecular formula C28H30F3N7O4 and a molecular weight of 585.59 g/mol. Its IUPAC name is 5-[[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]amino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-[[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]amino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID167760317
Molecular FormulaC28H30F3N7O4
Molecular Weight585.59 g/mol
Exact Mass585.23
IUPAC Name5-[[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]amino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC1CCc2nc(NCc3cc(C(N)=O)co3)nc(NCc3cccc(-c4cnn(C)c4)c3)c2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H29N7O2.C2HF3O2/c1-16-6-7-23-22(8-16)25(32-26(31-23)29-13-21-10-19(15-35-21)24(27)34)28-11-17-4-3-5-18(9-17)20-12-30-33(2)14-20;3-2(4,5)1(6)7/h3-5,9-10,12,14-16H,6-8,11,13H2,1-2H3,(H2,27,34)(H2,28,29,31,32);(H,6,7)
InChIKeyUQHJIHFAMCGIDN-UHFFFAOYSA-N
XLogP4.55
TPSA161.19 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.59
LogP ≤ 54.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-[[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]amino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]amino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-[[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]amino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid (CID 167760317) is 5-[[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]amino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-[[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]amino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-[[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]amino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid is CC1CCc2nc(NCc3cc(C(N)=O)co3)nc(NCc3cccc(-c4cnn(C)c4)c3)c2C1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-[[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]amino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is UQHJIHFAMCGIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2.C2HF3O2/c1-16-6-7-23-22(8-16)25(32-26(31-23)29-13-21-10-19(15-35-21)24(27)34)28-11-17-4-3-5-18(9-17)20-12-30-33(2)14-20;3-2(4,5)1(6)7/h3-5,9-10,12,14-16H,6-8,11,13H2,1-2H3,(H2,27,34)(H2,28,29,31,32);(H,6,7).
What are the key properties of 5-[[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]amino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid?
5-[[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]amino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 585.59 g/mol, XLogP of 4.55, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]amino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167760317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).