N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H16FN5OS — CID 55853104

IUPACN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(F)c2)s1)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C23H16FN5OS/c24-17-8-4-5-15(11-17)12-18-13-26-23(31-18)28-22(30)19-14-27-29-20(9-10-25-21(19)29)16-6-2-1-3-7-16/h1-11,13-14H,12H2,(H,26,28,30)
InChIKeyVXRBRZRXJHKPLG-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.84
Rot. Bonds5

About N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55853104) has the molecular formula C23H16FN5OS and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID55853104
Molecular FormulaC23H16FN5OS
Molecular Weight429.48 g/mol
Exact Mass429.11
IUPAC NameN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(F)c2)s1)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C23H16FN5OS/c24-17-8-4-5-15(11-17)12-18-13-26-23(31-18)28-22(30)19-14-27-29-20(9-10-25-21(19)29)16-6-2-1-3-7-16/h1-11,13-14H,12H2,(H,26,28,30)
InChIKeyVXRBRZRXJHKPLG-UHFFFAOYSA-N
XLogP4.84
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55853104) is N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1cnn2c(-c3ccccc3)ccnc12.
What is the InChIKey of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VXRBRZRXJHKPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5OS/c24-17-8-4-5-15(11-17)12-18-13-26-23(31-18)28-22(30)19-14-27-29-20(9-10-25-21(19)29)16-6-2-1-3-7-16/h1-11,13-14H,12H2,(H,26,28,30).
What are the key properties of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55853104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).