N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide

C23H18FN5O2S — CID 136745040

IUPACN-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(C)NC(=O)c1cnn2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C23H18FN5O2S/c1-12(19-13(2)27-23(32-19)14-7-9-15(24)10-8-14)26-22(31)17-11-25-29-18-6-4-3-5-16(18)21(30)28-20(17)29/h3-12H,1-2H3,(H,26,31)(H,28,30)
InChIKeyISMUIEJWVXCWIC-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.24
Rot. Bonds4

About N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide

N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 136745040) has the molecular formula C23H18FN5O2S and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID136745040
Molecular FormulaC23H18FN5O2S
Molecular Weight447.50 g/mol
Exact Mass447.12
IUPAC NameN-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(C)NC(=O)c1cnn2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C23H18FN5O2S/c1-12(19-13(2)27-23(32-19)14-7-9-15(24)10-8-14)26-22(31)17-11-25-29-18-6-4-3-5-16(18)21(30)28-20(17)29/h3-12H,1-2H3,(H,26,31)(H,28,30)
InChIKeyISMUIEJWVXCWIC-UHFFFAOYSA-N
XLogP4.24
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide (CID 136745040) is N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide is Cc1nc(-c2ccc(F)cc2)sc1C(C)NC(=O)c1cnn2c1[nH]c(=O)c1ccccc12.
What is the InChIKey of N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is ISMUIEJWVXCWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2S/c1-12(19-13(2)27-23(32-19)14-7-9-15(24)10-8-14)26-22(31)17-11-25-29-18-6-4-3-5-16(18)21(30)28-20(17)29/h3-12H,1-2H3,(H,26,31)(H,28,30).
What are the key properties of N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 136745040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).