6-(1H-indazol-6-yl)-N-[3-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine

C27H30N8O2 — CID 59473323

IUPAC6-(1H-indazol-6-yl)-N-[3-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOCCN1CCN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2OC)CC1
InChIInChI=1S/C27H30N8O2/c1-36-14-13-33-9-11-34(12-10-33)24-6-5-21(16-25(24)37-2)30-26-27-28-7-8-35(27)18-23(31-26)19-3-4-20-17-29-32-22(20)15-19/h3-8,15-18H,9-14H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyOGFCAGIVVRSUBJ-UHFFFAOYSA-N
MW498.59 g/mol
LogP3.79
Rot. Bonds8

About 6-(1H-indazol-6-yl)-N-[3-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine

6-(1H-indazol-6-yl)-N-[3-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 59473323) has the molecular formula C27H30N8O2 and a molecular weight of 498.59 g/mol. Its IUPAC name is 6-(1H-indazol-6-yl)-N-[3-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(1H-indazol-6-yl)-N-[3-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID59473323
Molecular FormulaC27H30N8O2
Molecular Weight498.59 g/mol
Exact Mass498.25
IUPAC Name6-(1H-indazol-6-yl)-N-[3-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOCCN1CCN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2OC)CC1
InChIInChI=1S/C27H30N8O2/c1-36-14-13-33-9-11-34(12-10-33)24-6-5-21(16-25(24)37-2)30-26-27-28-7-8-35(27)18-23(31-26)19-3-4-20-17-29-32-22(20)15-19/h3-8,15-18H,9-14H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyOGFCAGIVVRSUBJ-UHFFFAOYSA-N
XLogP3.79
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-ol
CID 59473477
(3S)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]pyrrolidin-3-ol
CID 59473271
(3R)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]pyrrolidin-3-ol
CID 59473382
[(2S)-4-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]morpholin-2-yl]methanol
CID 59473303
[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]methanol
CID 59473100
3-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenoxy]propan-1-ol
CID 59473157
(3R)-1-[2-ethoxy-4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]pyrrolidin-3-ol
CID 59473647
6-(1H-indazol-6-yl)-N-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473155
1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-4-ol
CID 59473526
N-(6-ethoxy-3-pyridinyl)-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 154335633
6-(1H-indazol-6-yl)-N-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 141271380
6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(3-methoxy-4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 91489187

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-6-yl)-N-[3-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-(1H-indazol-6-yl)-N-[3-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 59473323) is 6-(1H-indazol-6-yl)-N-[3-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-(1H-indazol-6-yl)-N-[3-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-(1H-indazol-6-yl)-N-[3-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine is COCCN1CCN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2OC)CC1.
What is the InChIKey of 6-(1H-indazol-6-yl)-N-[3-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is OGFCAGIVVRSUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O2/c1-36-14-13-33-9-11-34(12-10-33)24-6-5-21(16-25(24)37-2)30-26-27-28-7-8-35(27)18-23(31-26)19-3-4-20-17-29-32-22(20)15-19/h3-8,15-18H,9-14H2,1-2H3,(H,29,32)(H,30,31).
What are the key properties of 6-(1H-indazol-6-yl)-N-[3-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?
6-(1H-indazol-6-yl)-N-[3-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 498.59 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-6-yl)-N-[3-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 59473323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).