6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one

C25H25N7O2 — CID 163735282

IUPAC6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one
SMILESO=c1c2cc(-c3c(-c4ccn(C5CC5)n4)nc4occn34)ccc2ncn1CCN1CCCC1
InChIInChI=1S/C25H25N7O2/c33-24-19-15-17(3-6-20(19)26-16-30(24)12-11-29-8-1-2-9-29)23-22(27-25-31(23)13-14-34-25)21-7-10-32(28-21)18-4-5-18/h3,6-7,10,13-16,18H,1-2,4-5,8-9,11-12H2
InChIKeyMALPIXNSSIIQDV-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.60
Rot. Bonds6

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

6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one (PubChem CID 163735282) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one
PubChem CID163735282
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one
SMILESO=c1c2cc(-c3c(-c4ccn(C5CC5)n4)nc4occn34)ccc2ncn1CCN1CCCC1
InChIInChI=1S/C25H25N7O2/c33-24-19-15-17(3-6-20(19)26-16-30(24)12-11-29-8-1-2-9-29)23-22(27-25-31(23)13-14-34-25)21-7-10-32(28-21)18-4-5-18/h3,6-7,10,13-16,18H,1-2,4-5,8-9,11-12H2
InChIKeyMALPIXNSSIIQDV-UHFFFAOYSA-N
XLogP3.60
TPSA86.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one?
The IUPAC name of 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one (CID 163735282) is 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one.
What is the SMILES notation for 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one?
The canonical SMILES for 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one is O=c1c2cc(-c3c(-c4ccn(C5CC5)n4)nc4occn34)ccc2ncn1CCN1CCCC1.
What is the InChIKey of 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one?
The InChIKey is MALPIXNSSIIQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c33-24-19-15-17(3-6-20(19)26-16-30(24)12-11-29-8-1-2-9-29)23-22(27-25-31(23)13-14-34-25)21-7-10-32(28-21)18-4-5-18/h3,6-7,10,13-16,18H,1-2,4-5,8-9,11-12H2.
What are the key properties of 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one?
6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one has a molecular weight of 455.52 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one is sourced from PubChem (CID 163735282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).