3-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenoxy]propan-1-ol

C23H22N6O3 — CID 59473157

IUPAC3-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenoxy]propan-1-ol
SMILESCOc1cc(Nc2nc(-c3ccc4cn[nH]c4c3)cn3ccnc23)ccc1OCCCO
InChIInChI=1S/C23H22N6O3/c1-31-21-12-17(5-6-20(21)32-10-2-9-30)26-22-23-24-7-8-29(23)14-19(27-22)15-3-4-16-13-25-28-18(16)11-15/h3-8,11-14,30H,2,9-10H2,1H3,(H,25,28)(H,26,27)
InChIKeyJLVZHLGJDMRWEX-UHFFFAOYSA-N
MW430.47 g/mol
LogP3.79
Rot. Bonds8

About 3-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenoxy]propan-1-ol

3-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenoxy]propan-1-ol (PubChem CID 59473157) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 3-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenoxy]propan-1-ol
PubChem CID59473157
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name3-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenoxy]propan-1-ol
SMILESCOc1cc(Nc2nc(-c3ccc4cn[nH]c4c3)cn3ccnc23)ccc1OCCCO
InChIInChI=1S/C23H22N6O3/c1-31-21-12-17(5-6-20(21)32-10-2-9-30)26-22-23-24-7-8-29(23)14-19(27-22)15-3-4-16-13-25-28-18(16)11-15/h3-8,11-14,30H,2,9-10H2,1H3,(H,25,28)(H,26,27)
InChIKeyJLVZHLGJDMRWEX-UHFFFAOYSA-N
XLogP3.79
TPSA109.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]methanol
CID 59473100
1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-ol
CID 59473477
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
[(2S)-4-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]morpholin-2-yl]methanol
CID 59473303
(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
6-(1H-indazol-6-yl)-N-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473155
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
7-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-1H-quinolin-2-one
CID 59473373
1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-2-methylpropan-2-ol
CID 59473592
(3R)-1-[2-ethoxy-4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]pyrrolidin-3-ol
CID 59473647

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenoxy]propan-1-ol?
The IUPAC name of 3-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenoxy]propan-1-ol (CID 59473157) is 3-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenoxy]propan-1-ol.
What is the SMILES notation for 3-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenoxy]propan-1-ol?
The canonical SMILES for 3-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenoxy]propan-1-ol is COc1cc(Nc2nc(-c3ccc4cn[nH]c4c3)cn3ccnc23)ccc1OCCCO.
What is the InChIKey of 3-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenoxy]propan-1-ol?
The InChIKey is JLVZHLGJDMRWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-31-21-12-17(5-6-20(21)32-10-2-9-30)26-22-23-24-7-8-29(23)14-19(27-22)15-3-4-16-13-25-28-18(16)11-15/h3-8,11-14,30H,2,9-10H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 3-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenoxy]propan-1-ol?
3-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenoxy]propan-1-ol has a molecular weight of 430.47 g/mol, XLogP of 3.79, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenoxy]propan-1-ol is sourced from PubChem (CID 59473157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).