3-(10-fluoro-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide

C20H20FN5OS — CID 71709172

IUPAC3-(10-fluoro-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
SMILESCc1nc2c3c(F)cccc3nn2c(C)c1CCC(=O)NCCc1nccs1
InChIInChI=1S/C20H20FN5OS/c1-12-14(6-7-17(27)22-9-8-18-23-10-11-28-18)13(2)26-20(24-12)19-15(21)4-3-5-16(19)25-26/h3-5,10-11H,6-9H2,1-2H3,(H,22,27)
InChIKeyITVSWEOPKXTNSS-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.39
Rot. Bonds6

About 3-(10-fluoro-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide

3-(10-fluoro-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide (PubChem CID 71709172) has the molecular formula C20H20FN5OS and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-(10-fluoro-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(10-fluoro-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
PubChem CID71709172
Molecular FormulaC20H20FN5OS
Molecular Weight397.48 g/mol
Exact Mass397.14
IUPAC Name3-(10-fluoro-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
SMILESCc1nc2c3c(F)cccc3nn2c(C)c1CCC(=O)NCCc1nccs1
InChIInChI=1S/C20H20FN5OS/c1-12-14(6-7-17(27)22-9-8-18-23-10-11-28-18)13(2)26-20(24-12)19-15(21)4-3-5-16(19)25-26/h3-5,10-11H,6-9H2,1-2H3,(H,22,27)
InChIKeyITVSWEOPKXTNSS-UHFFFAOYSA-N
XLogP3.39
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(10-fluoro-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-(10-fluoro-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide (CID 71709172) is 3-(10-fluoro-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(10-fluoro-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(10-fluoro-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide is Cc1nc2c3c(F)cccc3nn2c(C)c1CCC(=O)NCCc1nccs1.
What is the InChIKey of 3-(10-fluoro-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide?
The InChIKey is ITVSWEOPKXTNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5OS/c1-12-14(6-7-17(27)22-9-8-18-23-10-11-28-18)13(2)26-20(24-12)19-15(21)4-3-5-16(19)25-26/h3-5,10-11H,6-9H2,1-2H3,(H,22,27).
What are the key properties of 3-(10-fluoro-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide?
3-(10-fluoro-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide has a molecular weight of 397.48 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-fluoro-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 71709172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).