N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)pyrazine-2-carboxamide

C22H21N5O2 — CID 70734149

IUPACN-(1-benzyl-6-propan-2-yloxyindazol-3-yl)pyrazine-2-carboxamide
SMILESCC(C)Oc1ccc2c(NC(=O)c3cnccn3)nn(Cc3ccccc3)c2c1
InChIInChI=1S/C22H21N5O2/c1-15(2)29-17-8-9-18-20(12-17)27(14-16-6-4-3-5-7-16)26-21(18)25-22(28)19-13-23-10-11-24-19/h3-13,15H,14H2,1-2H3,(H,25,26,28)
InChIKeyTXJJVUGVYHLMHY-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.91
Rot. Bonds6

About N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)pyrazine-2-carboxamide

N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)pyrazine-2-carboxamide (PubChem CID 70734149) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-6-propan-2-yloxyindazol-3-yl)pyrazine-2-carboxamide
PubChem CID70734149
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-(1-benzyl-6-propan-2-yloxyindazol-3-yl)pyrazine-2-carboxamide
SMILESCC(C)Oc1ccc2c(NC(=O)c3cnccn3)nn(Cc3ccccc3)c2c1
InChIInChI=1S/C22H21N5O2/c1-15(2)29-17-8-9-18-20(12-17)27(14-16-6-4-3-5-7-16)26-21(18)25-22(28)19-13-23-10-11-24-19/h3-13,15H,14H2,1-2H3,(H,25,26,28)
InChIKeyTXJJVUGVYHLMHY-UHFFFAOYSA-N
XLogP3.91
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)pyrazine-2-carboxamide (CID 70734149) is N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)pyrazine-2-carboxamide is CC(C)Oc1ccc2c(NC(=O)c3cnccn3)nn(Cc3ccccc3)c2c1.
What is the InChIKey of N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)pyrazine-2-carboxamide?
The InChIKey is TXJJVUGVYHLMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-15(2)29-17-8-9-18-20(12-17)27(14-16-6-4-3-5-7-16)26-21(18)25-22(28)19-13-23-10-11-24-19/h3-13,15H,14H2,1-2H3,(H,25,26,28).
What are the key properties of N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)pyrazine-2-carboxamide?
N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)pyrazine-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 70734149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).