3-[cyclopropyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid

C20H17N5O2 — CID 70664725

IUPAC3-[cyclopropyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid
SMILESCN(c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ncc2c1)C1CC1
InChIInChI=1S/C20H17N5O2/c1-25(14-4-5-14)19-18(11-2-6-15-13(8-11)10-21-24-15)22-16-7-3-12(20(26)27)9-17(16)23-19/h2-3,6-10,14H,4-5H2,1H3,(H,21,24)(H,26,27)
InChIKeyRTEJNBNUDIERIL-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.47
Rot. Bonds4

About 3-[cyclopropyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid

3-[cyclopropyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid (PubChem CID 70664725) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-[cyclopropyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopropyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid
PubChem CID70664725
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name3-[cyclopropyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid
SMILESCN(c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ncc2c1)C1CC1
InChIInChI=1S/C20H17N5O2/c1-25(14-4-5-14)19-18(11-2-6-15-13(8-11)10-21-24-15)22-16-7-3-12(20(26)27)9-17(16)23-19/h2-3,6-10,14H,4-5H2,1H3,(H,21,24)(H,26,27)
InChIKeyRTEJNBNUDIERIL-UHFFFAOYSA-N
XLogP3.47
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid?
The IUPAC name of 3-[cyclopropyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid (CID 70664725) is 3-[cyclopropyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-[cyclopropyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid?
The canonical SMILES for 3-[cyclopropyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid is CN(c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ncc2c1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid?
The InChIKey is RTEJNBNUDIERIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-25(14-4-5-14)19-18(11-2-6-15-13(8-11)10-21-24-15)22-16-7-3-12(20(26)27)9-17(16)23-19/h2-3,6-10,14H,4-5H2,1H3,(H,21,24)(H,26,27).
What are the key properties of 3-[cyclopropyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid?
3-[cyclopropyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid has a molecular weight of 359.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 70664725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).