6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one

C25H27N7OS — CID 163587386

IUPAC6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one
SMILESCC(C)n1ccc(-c2nc3sccn3c2-c2ccc3ncn(CCN4CCCC4)c(=O)c3c2)n1
InChIInChI=1S/C25H27N7OS/c1-17(2)32-10-7-21(28-32)22-23(31-13-14-34-25(31)27-22)18-5-6-20-19(15-18)24(33)30(16-26-20)12-11-29-8-3-4-9-29/h5-7,10,13-17H,3-4,8-9,11-12H2,1-2H3
InChIKeyGMPOCEIUNIVPEQ-UHFFFAOYSA-N
MW473.61 g/mol
LogP4.31
Rot. Bonds6

About 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one

6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one (PubChem CID 163587386) has the molecular formula C25H27N7OS and a molecular weight of 473.61 g/mol. Its IUPAC name is 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one
PubChem CID163587386
Molecular FormulaC25H27N7OS
Molecular Weight473.61 g/mol
Exact Mass473.20
IUPAC Name6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one
SMILESCC(C)n1ccc(-c2nc3sccn3c2-c2ccc3ncn(CCN4CCCC4)c(=O)c3c2)n1
InChIInChI=1S/C25H27N7OS/c1-17(2)32-10-7-21(28-32)22-23(31-13-14-34-25(31)27-22)18-5-6-20-19(15-18)24(33)30(16-26-20)12-11-29-8-3-4-9-29/h5-7,10,13-17H,3-4,8-9,11-12H2,1-2H3
InChIKeyGMPOCEIUNIVPEQ-UHFFFAOYSA-N
XLogP4.31
TPSA73.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.61
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one?
The IUPAC name of 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one (CID 163587386) is 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one.
What is the SMILES notation for 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one?
The canonical SMILES for 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one is CC(C)n1ccc(-c2nc3sccn3c2-c2ccc3ncn(CCN4CCCC4)c(=O)c3c2)n1.
What is the InChIKey of 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one?
The InChIKey is GMPOCEIUNIVPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7OS/c1-17(2)32-10-7-21(28-32)22-23(31-13-14-34-25(31)27-22)18-5-6-20-19(15-18)24(33)30(16-26-20)12-11-29-8-3-4-9-29/h5-7,10,13-17H,3-4,8-9,11-12H2,1-2H3.
What are the key properties of 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one?
6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one has a molecular weight of 473.61 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one is sourced from PubChem (CID 163587386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).