6-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C25H19N5OS — CID 69154726

IUPAC6-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1nc(C)c(COc2ccc(-c3cnc4c(C#N)cnn4c3-c3ccccc3)cc2)s1
InChIInChI=1S/C25H19N5OS/c1-16-23(32-17(2)29-16)15-31-21-10-8-18(9-11-21)22-14-27-25-20(12-26)13-28-30(25)24(22)19-6-4-3-5-7-19/h3-11,13-14H,15H2,1-2H3
InChIKeyCVHXHXQOINEGAP-UHFFFAOYSA-N
MW437.53 g/mol
LogP5.59
Rot. Bonds5

About 6-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

6-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 69154726) has the molecular formula C25H19N5OS and a molecular weight of 437.53 g/mol. Its IUPAC name is 6-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID69154726
Molecular FormulaC25H19N5OS
Molecular Weight437.53 g/mol
Exact Mass437.13
IUPAC Name6-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1nc(C)c(COc2ccc(-c3cnc4c(C#N)cnn4c3-c3ccccc3)cc2)s1
InChIInChI=1S/C25H19N5OS/c1-16-23(32-17(2)29-16)15-31-21-10-8-18(9-11-21)22-14-27-25-20(12-26)13-28-30(25)24(22)19-6-4-3-5-7-19/h3-11,13-14H,15H2,1-2H3
InChIKeyCVHXHXQOINEGAP-UHFFFAOYSA-N
XLogP5.59
TPSA76.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.53
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 69154726) is 6-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1nc(C)c(COc2ccc(-c3cnc4c(C#N)cnn4c3-c3ccccc3)cc2)s1.
What is the InChIKey of 6-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is CVHXHXQOINEGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5OS/c1-16-23(32-17(2)29-16)15-31-21-10-8-18(9-11-21)22-14-27-25-20(12-26)13-28-30(25)24(22)19-6-4-3-5-7-19/h3-11,13-14H,15H2,1-2H3.
What are the key properties of 6-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 437.53 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 69154726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).