3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C22H25N7O — CID 118930222

IUPAC3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCc1nnc2n1CCN(c1cc(-n3ncc4ccc(OC(C)C)cc43)ccn1)C2
InChIInChI=1S/C22H25N7O/c1-4-20-25-26-22-14-27(9-10-28(20)22)21-11-17(7-8-23-21)29-19-12-18(30-15(2)3)6-5-16(19)13-24-29/h5-8,11-13,15H,4,9-10,14H2,1-3H3
InChIKeyDWBCRUGLPCMHAD-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.38
Rot. Bonds5

About 3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 118930222) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID118930222
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCc1nnc2n1CCN(c1cc(-n3ncc4ccc(OC(C)C)cc43)ccn1)C2
InChIInChI=1S/C22H25N7O/c1-4-20-25-26-22-14-27(9-10-28(20)22)21-11-17(7-8-23-21)29-19-12-18(30-15(2)3)6-5-16(19)13-24-29/h5-8,11-13,15H,4,9-10,14H2,1-3H3
InChIKeyDWBCRUGLPCMHAD-UHFFFAOYSA-N
XLogP3.38
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

Amg-208
CID 24864821
CP466722
CID 44551660
4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
Methyl substituted pyrazole, 27
CID 23648674
Pyrazolopyridazine 1
CID 6539361
N-(3-methoxyphenyl)-1-methyl-6-morpholino-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456450
N-(3-methoxyphenyl)-1-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456451
1-Methyl-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxymethyl]-1H-benzoimidazole
CID 23648644
Methyl substituted pyrazole, 28
CID 23648676
Triazolopyridazine, 10f
CID 24824705
Triazolopyridazine, 10a
CID 24864822
4-((6-(3-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy)-7-methoxyquinoline
CID 24864823

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 118930222) is 3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CCc1nnc2n1CCN(c1cc(-n3ncc4ccc(OC(C)C)cc43)ccn1)C2.
What is the InChIKey of 3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is DWBCRUGLPCMHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-4-20-25-26-22-14-27(9-10-28(20)22)21-11-17(7-8-23-21)29-19-12-18(30-15(2)3)6-5-16(19)13-24-29/h5-8,11-13,15H,4,9-10,14H2,1-3H3.
What are the key properties of 3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 403.49 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 118930222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).