2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C17H19N5O2 — CID 71280840

IUPAC2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)O)c3n2)c2c1CCC(C)(C)C2
InChIInChI=1S/C17H19N5O2/c1-17(2)5-4-12-9(6-17)13(21-22(12)3)11-8-19-15-14(20-11)10(7-18-15)16(23)24/h7-8H,4-6H2,1-3H3,(H,18,19)(H,23,24)
InChIKeyCUDRWRVNMGPSBF-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.57
Rot. Bonds2

About 2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71280840) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71280840
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)O)c3n2)c2c1CCC(C)(C)C2
InChIInChI=1S/C17H19N5O2/c1-17(2)5-4-12-9(6-17)13(21-22(12)3)11-8-19-15-14(20-11)10(7-18-15)16(23)24/h7-8H,4-6H2,1-3H3,(H,18,19)(H,23,24)
InChIKeyCUDRWRVNMGPSBF-UHFFFAOYSA-N
XLogP2.57
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71280840) is 2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is Cn1nc(-c2cnc3[nH]cc(C(=O)O)c3n2)c2c1CCC(C)(C)C2.
What is the InChIKey of 2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is CUDRWRVNMGPSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-17(2)5-4-12-9(6-17)13(21-22(12)3)11-8-19-15-14(20-11)10(7-18-15)16(23)24/h7-8H,4-6H2,1-3H3,(H,18,19)(H,23,24).
What are the key properties of 2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 325.37 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71280840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).