3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide

C24H21N5OS — CID 55817343

IUPAC3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESCc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C24H21N5OS/c1-15-19(16(2)29-23(26-15)20-8-3-4-9-21(20)28-29)10-11-22(30)27-18-7-5-6-17(14-18)24-25-12-13-31-24/h3-9,12-14H,10-11H2,1-2H3,(H,27,30)
InChIKeyGKCSMQMHYSWNNG-UHFFFAOYSA-N
MW427.53 g/mol
LogP5.19
Rot. Bonds5

About 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide

3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide (PubChem CID 55817343) has the molecular formula C24H21N5OS and a molecular weight of 427.53 g/mol. Its IUPAC name is 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
PubChem CID55817343
Molecular FormulaC24H21N5OS
Molecular Weight427.53 g/mol
Exact Mass427.15
IUPAC Name3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESCc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C24H21N5OS/c1-15-19(16(2)29-23(26-15)20-8-3-4-9-21(20)28-29)10-11-22(30)27-18-7-5-6-17(14-18)24-25-12-13-31-24/h3-9,12-14H,10-11H2,1-2H3,(H,27,30)
InChIKeyGKCSMQMHYSWNNG-UHFFFAOYSA-N
XLogP5.19
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.53
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(4-methoxyphenyl)propanamide
CID 17480071
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 29370690
N-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 24656121
N-(4-acetamido-3-chlorophenyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 41305553
ethyl 1-[3-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]phenyl]pyrazole-3-carboxylate
CID 55688645
N'-acetyl-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanehydrazide
CID 43067931
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 46530055
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(4-methoxy-3-sulfamoylphenyl)propanamide
CID 24583642
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 41337104
N-[4-[3-(dimethylamino)propoxy]phenyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 86898251
N-cyclopropyl-4-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]benzamide
CID 24587179
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 24618252

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide?
The IUPAC name of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide (CID 55817343) is 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide is Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cccc(-c2nccs2)c1.
What is the InChIKey of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide?
The InChIKey is GKCSMQMHYSWNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5OS/c1-15-19(16(2)29-23(26-15)20-8-3-4-9-21(20)28-29)10-11-22(30)27-18-7-5-6-17(14-18)24-25-12-13-31-24/h3-9,12-14H,10-11H2,1-2H3,(H,27,30).
What are the key properties of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide?
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide has a molecular weight of 427.53 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 55817343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).