7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxylic acid

C21H17N5O2 — CID 69204158

IUPAC7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxylic acid
SMILESCc1cccc(-c2nn3c(c2-c2ccc4ncc(C(=O)O)nc4c2)CCC3)n1
InChIInChI=1S/C21H17N5O2/c1-12-4-2-5-15(23-12)20-19(18-6-3-9-26(18)25-20)13-7-8-14-16(10-13)24-17(11-22-14)21(27)28/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,27,28)
InChIKeyMQMYOALVLWBENQ-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.51
Rot. Bonds3

About 7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxylic acid

7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxylic acid (PubChem CID 69204158) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxylic acid
PubChem CID69204158
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxylic acid
SMILESCc1cccc(-c2nn3c(c2-c2ccc4ncc(C(=O)O)nc4c2)CCC3)n1
InChIInChI=1S/C21H17N5O2/c1-12-4-2-5-15(23-12)20-19(18-6-3-9-26(18)25-20)13-7-8-14-16(10-13)24-17(11-22-14)21(27)28/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,27,28)
InChIKeyMQMYOALVLWBENQ-UHFFFAOYSA-N
XLogP3.51
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[7-[2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxalin-2-yl]methanol
CID 134370039
1-[1-[7-(Trifluoromethyl)quinolin-4-yl]pyrrolidin-3-yl]triazole-4-carboxylic acid
CID 146134043
7-[2-(6-Methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-quinoxaline-2-carboxylic acid amide
CID 10022054
(E)-3-[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-6-yl]prop-2-enoic acid
CID 10157579
(E)-3-[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-7-yl]prop-2-enoic acid
CID 21992688
Iridium;1-methylpyrazole-3-carboxylic acid;2,6,7-trimethyl-3-phenylquinoxaline
CID 59501555
3-{4-[2-(6-Methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-quinolin-6-yl}-acrylic Acid
CID 66678074
3-[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-7-yl]prop-2-enoic acid
CID 66679089
1-(Quinoxalin-6-ylmethyl)triazole-4-carboxylic acid
CID 139487630
1-(Quinoxalin-6-ylmethyl)pyrazole-4-carboxylic acid
CID 139488387
7-[1-Methyl-3-(6-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]quinoxaline-2-carboxamide
CID 142903764
Pyrido[3,2-h]quinoxaline-2-carboxylic acid
CID 153773742

Frequently Asked Questions

What is the IUPAC name of 7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxylic acid?
The IUPAC name of 7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxylic acid (CID 69204158) is 7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxylic acid.
What is the SMILES notation for 7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxylic acid?
The canonical SMILES for 7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxylic acid is Cc1cccc(-c2nn3c(c2-c2ccc4ncc(C(=O)O)nc4c2)CCC3)n1.
What is the InChIKey of 7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxylic acid?
The InChIKey is MQMYOALVLWBENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-12-4-2-5-15(23-12)20-19(18-6-3-9-26(18)25-20)13-7-8-14-16(10-13)24-17(11-22-14)21(27)28/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,27,28).
What are the key properties of 7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxylic acid?
7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxylic acid has a molecular weight of 371.40 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxylic acid is sourced from PubChem (CID 69204158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).