6-[6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one

C25H30N8O — CID 146407868

IUPAC6-[6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one
SMILESCC(C)n1ccc(-c2nc3n(c2-c2ccc4ncn(CCN5CCCC5)c(=O)c4c2)CCN3)n1
InChIInChI=1S/C25H30N8O/c1-17(2)33-11-7-21(29-33)22-23(32-12-8-26-25(32)28-22)18-5-6-20-19(15-18)24(34)31(16-27-20)14-13-30-9-3-4-10-30/h5-7,11,15-17H,3-4,8-10,12-14H2,1-2H3,(H,26,28)
InChIKeyFWFNYUXTLKQORX-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.23
Rot. Bonds6

About 6-[6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one

6-[6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one (PubChem CID 146407868) has the molecular formula C25H30N8O and a molecular weight of 458.57 g/mol. Its IUPAC name is 6-[6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-[6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one
PubChem CID146407868
Molecular FormulaC25H30N8O
Molecular Weight458.57 g/mol
Exact Mass458.25
IUPAC Name6-[6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one
SMILESCC(C)n1ccc(-c2nc3n(c2-c2ccc4ncn(CCN5CCCC5)c(=O)c4c2)CCN3)n1
InChIInChI=1S/C25H30N8O/c1-17(2)33-11-7-21(29-33)22-23(32-12-8-26-25(32)28-22)18-5-6-20-19(15-18)24(34)31(16-27-20)14-13-30-9-3-4-10-30/h5-7,11,15-17H,3-4,8-10,12-14H2,1-2H3,(H,26,28)
InChIKeyFWFNYUXTLKQORX-UHFFFAOYSA-N
XLogP3.23
TPSA85.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-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)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one?
The IUPAC name of 6-[6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one (CID 146407868) is 6-[6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one.
What is the SMILES notation for 6-[6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one?
The canonical SMILES for 6-[6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one is CC(C)n1ccc(-c2nc3n(c2-c2ccc4ncn(CCN5CCCC5)c(=O)c4c2)CCN3)n1.
What is the InChIKey of 6-[6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one?
The InChIKey is FWFNYUXTLKQORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O/c1-17(2)33-11-7-21(29-33)22-23(32-12-8-26-25(32)28-22)18-5-6-20-19(15-18)24(34)31(16-27-20)14-13-30-9-3-4-10-30/h5-7,11,15-17H,3-4,8-10,12-14H2,1-2H3,(H,26,28).
What are the key properties of 6-[6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one?
6-[6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one has a molecular weight of 458.57 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 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)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one is sourced from PubChem (CID 146407868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).