3-[5-(3-chloro-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5,5-dimethyl-1,3-oxazolidin-2-one

C20H20ClN5O3 — CID 155453502

IUPAC3-[5-(3-chloro-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)CN(c2cnn3c2CN(C(=O)c2[nH]c4ccccc4c2Cl)CC3)C(=O)O1
InChIInChI=1S/C20H20ClN5O3/c1-20(2)11-25(19(28)29-20)14-9-22-26-8-7-24(10-15(14)26)18(27)17-16(21)12-5-3-4-6-13(12)23-17/h3-6,9,23H,7-8,10-11H2,1-2H3
InChIKeyILLIHRIGGJQXPR-UHFFFAOYSA-N
MW413.87 g/mol
LogP3.41
Rot. Bonds2

About 3-[5-(3-chloro-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5,5-dimethyl-1,3-oxazolidin-2-one

3-[5-(3-chloro-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 155453502) has the molecular formula C20H20ClN5O3 and a molecular weight of 413.87 g/mol. Its IUPAC name is 3-[5-(3-chloro-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-(3-chloro-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID155453502
Molecular FormulaC20H20ClN5O3
Molecular Weight413.87 g/mol
Exact Mass413.13
IUPAC Name3-[5-(3-chloro-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)CN(c2cnn3c2CN(C(=O)c2[nH]c4ccccc4c2Cl)CC3)C(=O)O1
InChIInChI=1S/C20H20ClN5O3/c1-20(2)11-25(19(28)29-20)14-9-22-26-8-7-24(10-15(14)26)18(27)17-16(21)12-5-3-4-6-13(12)23-17/h3-6,9,23H,7-8,10-11H2,1-2H3
InChIKeyILLIHRIGGJQXPR-UHFFFAOYSA-N
XLogP3.41
TPSA83.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.87
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-chloro-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-(3-chloro-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5,5-dimethyl-1,3-oxazolidin-2-one (CID 155453502) is 3-[5-(3-chloro-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-(3-chloro-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-(3-chloro-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5,5-dimethyl-1,3-oxazolidin-2-one is CC1(C)CN(c2cnn3c2CN(C(=O)c2[nH]c4ccccc4c2Cl)CC3)C(=O)O1.
What is the InChIKey of 3-[5-(3-chloro-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is ILLIHRIGGJQXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O3/c1-20(2)11-25(19(28)29-20)14-9-22-26-8-7-24(10-15(14)26)18(27)17-16(21)12-5-3-4-6-13(12)23-17/h3-6,9,23H,7-8,10-11H2,1-2H3.
What are the key properties of 3-[5-(3-chloro-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5,5-dimethyl-1,3-oxazolidin-2-one?
3-[5-(3-chloro-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 413.87 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-chloro-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 155453502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).