1-[6-(5-quinoxalin-6-yl-1H-indazol-3-yl)pyrazin-2-yl]piperidin-4-amine

C24H22N8 — CID 67959936

IUPAC1-[6-(5-quinoxalin-6-yl-1H-indazol-3-yl)pyrazin-2-yl]piperidin-4-amine
SMILESNC1CCN(c2cncc(-c3n[nH]c4ccc(-c5ccc6nccnc6c5)cc34)n2)CC1
InChIInChI=1S/C24H22N8/c25-17-5-9-32(10-6-17)23-14-26-13-22(29-23)24-18-11-15(1-3-19(18)30-31-24)16-2-4-20-21(12-16)28-8-7-27-20/h1-4,7-8,11-14,17H,5-6,9-10,25H2,(H,30,31)
InChIKeyGPDWDSKXITUKIF-UHFFFAOYSA-N
MW422.50 g/mol
LogP3.56
Rot. Bonds3

About 1-[6-(5-quinoxalin-6-yl-1H-indazol-3-yl)pyrazin-2-yl]piperidin-4-amine

1-[6-(5-quinoxalin-6-yl-1H-indazol-3-yl)pyrazin-2-yl]piperidin-4-amine (PubChem CID 67959936) has the molecular formula C24H22N8 and a molecular weight of 422.50 g/mol. Its IUPAC name is 1-[6-(5-quinoxalin-6-yl-1H-indazol-3-yl)pyrazin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[6-(5-quinoxalin-6-yl-1H-indazol-3-yl)pyrazin-2-yl]piperidin-4-amine
PubChem CID67959936
Molecular FormulaC24H22N8
Molecular Weight422.50 g/mol
Exact Mass422.20
IUPAC Name1-[6-(5-quinoxalin-6-yl-1H-indazol-3-yl)pyrazin-2-yl]piperidin-4-amine
SMILESNC1CCN(c2cncc(-c3n[nH]c4ccc(-c5ccc6nccnc6c5)cc34)n2)CC1
InChIInChI=1S/C24H22N8/c25-17-5-9-32(10-6-17)23-14-26-13-22(29-23)24-18-11-15(1-3-19(18)30-31-24)16-2-4-20-21(12-16)28-8-7-27-20/h1-4,7-8,11-14,17H,5-6,9-10,25H2,(H,30,31)
InChIKeyGPDWDSKXITUKIF-UHFFFAOYSA-N
XLogP3.56
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-[5-(3-fluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
CID 67959669
1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
CID 67959941
1-[6-[5-(5-ethenyl-2-methoxy-6-methyl-3-pyridinyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
CID 123670336
3-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indazol-5-yl]-N,N-diethyl-2-fluorobenzamide
CID 67959634
1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine
CID 71253272
1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137117012
(4S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine
CID 71253468
1-[6-[3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 136936799
1-[6-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-4,5-dihydropyrimidin-2-yl]piperidin-4-amine
CID 163547408
1-[6-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137116753
1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 136936951
3-[2-(4-pyridin-4-ylpiperidin-1-yl)-4-pyridinyl]-1H-indazole
CID 118657115

Frequently Asked Questions

What is the IUPAC name of 1-[6-(5-quinoxalin-6-yl-1H-indazol-3-yl)pyrazin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[6-(5-quinoxalin-6-yl-1H-indazol-3-yl)pyrazin-2-yl]piperidin-4-amine (CID 67959936) is 1-[6-(5-quinoxalin-6-yl-1H-indazol-3-yl)pyrazin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[6-(5-quinoxalin-6-yl-1H-indazol-3-yl)pyrazin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[6-(5-quinoxalin-6-yl-1H-indazol-3-yl)pyrazin-2-yl]piperidin-4-amine is NC1CCN(c2cncc(-c3n[nH]c4ccc(-c5ccc6nccnc6c5)cc34)n2)CC1.
What is the InChIKey of 1-[6-(5-quinoxalin-6-yl-1H-indazol-3-yl)pyrazin-2-yl]piperidin-4-amine?
The InChIKey is GPDWDSKXITUKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8/c25-17-5-9-32(10-6-17)23-14-26-13-22(29-23)24-18-11-15(1-3-19(18)30-31-24)16-2-4-20-21(12-16)28-8-7-27-20/h1-4,7-8,11-14,17H,5-6,9-10,25H2,(H,30,31).
What are the key properties of 1-[6-(5-quinoxalin-6-yl-1H-indazol-3-yl)pyrazin-2-yl]piperidin-4-amine?
1-[6-(5-quinoxalin-6-yl-1H-indazol-3-yl)pyrazin-2-yl]piperidin-4-amine has a molecular weight of 422.50 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(5-quinoxalin-6-yl-1H-indazol-3-yl)pyrazin-2-yl]piperidin-4-amine is sourced from PubChem (CID 67959936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).