(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone

C20H19N5OS — CID 146457246

IUPAC(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
SMILESCc1nc2sccn2c1C(=O)N1CCc2c(nn(C)c2-c2ccccc2)C1
InChIInChI=1S/C20H19N5OS/c1-13-17(25-10-11-27-20(25)21-13)19(26)24-9-8-15-16(12-24)22-23(2)18(15)14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyZZJZGOXXSMOJPV-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.30
Rot. Bonds2

About (6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone

(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone (PubChem CID 146457246) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is (6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
PubChem CID146457246
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
SMILESCc1nc2sccn2c1C(=O)N1CCc2c(nn(C)c2-c2ccccc2)C1
InChIInChI=1S/C20H19N5OS/c1-13-17(25-10-11-27-20(25)21-13)19(26)24-9-8-15-16(12-24)22-23(2)18(15)14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyZZJZGOXXSMOJPV-UHFFFAOYSA-N
XLogP3.30
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone?
The IUPAC name of (6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone (CID 146457246) is (6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone.
What is the SMILES notation for (6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone?
The canonical SMILES for (6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone is Cc1nc2sccn2c1C(=O)N1CCc2c(nn(C)c2-c2ccccc2)C1.
What is the InChIKey of (6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone?
The InChIKey is ZZJZGOXXSMOJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-13-17(25-10-11-27-20(25)21-13)19(26)24-9-8-15-16(12-24)22-23(2)18(15)14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3.
What are the key properties of (6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone?
(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone has a molecular weight of 377.47 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone is sourced from PubChem (CID 146457246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).