N-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide

C22H20N6O — CID 108806370

IUPACN-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
SMILESCc1cc(NC(=O)CCn2c3ccccc3c3nc4ccccc4nc32)n(C)n1
InChIInChI=1S/C22H20N6O/c1-14-13-19(27(2)26-14)25-20(29)11-12-28-18-10-6-3-7-15(18)21-22(28)24-17-9-5-4-8-16(17)23-21/h3-10,13H,11-12H2,1-2H3,(H,25,29)
InChIKeyVKHAKBPYCWHGSW-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.81
Rot. Bonds4

About N-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide

N-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide (PubChem CID 108806370) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
PubChem CID108806370
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
SMILESCc1cc(NC(=O)CCn2c3ccccc3c3nc4ccccc4nc32)n(C)n1
InChIInChI=1S/C22H20N6O/c1-14-13-19(27(2)26-14)25-20(29)11-12-28-18-10-6-3-7-15(18)21-22(28)24-17-9-5-4-8-16(17)23-21/h3-10,13H,11-12H2,1-2H3,(H,25,29)
InChIKeyVKHAKBPYCWHGSW-UHFFFAOYSA-N
XLogP3.81
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide (CID 108806370) is N-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide is Cc1cc(NC(=O)CCn2c3ccccc3c3nc4ccccc4nc32)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
The InChIKey is VKHAKBPYCWHGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c1-14-13-19(27(2)26-14)25-20(29)11-12-28-18-10-6-3-7-15(18)21-22(28)24-17-9-5-4-8-16(17)23-21/h3-10,13H,11-12H2,1-2H3,(H,25,29).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
N-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide has a molecular weight of 384.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide is sourced from PubChem (CID 108806370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).