(2S)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)-4-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]butan-2-ol

C20H19F3N4O2 — CID 99786902

IUPAC(2S)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)-4-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]butan-2-ol
SMILESCc1cc2nc(NCC[C@](O)(c3ccc(C)o3)C(F)(F)F)c3ccccc3n2n1
InChIInChI=1S/C20H19F3N4O2/c1-12-11-17-25-18(14-5-3-4-6-15(14)27(17)26-12)24-10-9-19(28,20(21,22)23)16-8-7-13(2)29-16/h3-8,11,28H,9-10H2,1-2H3,(H,24,25)/t19-/m0/s1
InChIKeySQUNHVITUPNSFY-IBGZPJMESA-N
MW404.39 g/mol
LogP4.34
Rot. Bonds5

About (2S)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)-4-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]butan-2-ol

(2S)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)-4-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]butan-2-ol (PubChem CID 99786902) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)-4-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]butan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)-4-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]butan-2-ol
PubChem CID99786902
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name(2S)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)-4-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]butan-2-ol
SMILESCc1cc2nc(NCC[C@](O)(c3ccc(C)o3)C(F)(F)F)c3ccccc3n2n1
InChIInChI=1S/C20H19F3N4O2/c1-12-11-17-25-18(14-5-3-4-6-15(14)27(17)26-12)24-10-9-19(28,20(21,22)23)16-8-7-13(2)29-16/h3-8,11,28H,9-10H2,1-2H3,(H,24,25)/t19-/m0/s1
InChIKeySQUNHVITUPNSFY-IBGZPJMESA-N
XLogP4.34
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)-4-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]butan-2-ol with MolForge

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Related Compounds

2,2-dimethyl-N-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethyl]propanamide
CID 99792474
(2S)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)-4-[(2-pyridin-3-ylquinazolin-4-yl)amino]butan-2-ol
CID 30282621
2-methyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 8850832
2-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]quinazolin-5-amine
CID 34044453
(2S)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)-4-(thieno[2,3-d]pyrimidin-4-ylamino)butan-2-ol
CID 30282603
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 8852996
2-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethylamino]pyridine-3-carbonitrile
CID 51119677
N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 8890756
N-[(3,4-dichlorophenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 172862616
N-[(2-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 8850825
2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 60503130
2-[3-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 47061514

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)-4-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]butan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)-4-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]butan-2-ol (CID 99786902) is (2S)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)-4-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]butan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)-4-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]butan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)-4-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]butan-2-ol is Cc1cc2nc(NCC[C@](O)(c3ccc(C)o3)C(F)(F)F)c3ccccc3n2n1.
What is the InChIKey of (2S)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)-4-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]butan-2-ol?
The InChIKey is SQUNHVITUPNSFY-IBGZPJMESA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-12-11-17-25-18(14-5-3-4-6-15(14)27(17)26-12)24-10-9-19(28,20(21,22)23)16-8-7-13(2)29-16/h3-8,11,28H,9-10H2,1-2H3,(H,24,25)/t19-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)-4-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]butan-2-ol?
(2S)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)-4-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]butan-2-ol has a molecular weight of 404.39 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)-4-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]butan-2-ol is sourced from PubChem (CID 99786902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).