1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-ol

C25H25N7O2 — CID 59473477

IUPAC1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-ol
SMILESCOc1cc(Nc2nc(-c3ccc4cn[nH]c4c3)cn3ccnc23)ccc1N1CCC(O)CC1
InChIInChI=1S/C25H25N7O2/c1-34-23-13-18(4-5-22(23)31-9-6-19(33)7-10-31)28-24-25-26-8-11-32(25)15-21(29-24)16-2-3-17-14-27-30-20(17)12-16/h2-5,8,11-15,19,33H,6-7,9-10H2,1H3,(H,27,30)(H,28,29)
InChIKeyCHFHZJRVDQBYRH-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.99
Rot. Bonds5

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

1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-ol (PubChem CID 59473477) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-ol
PubChem CID59473477
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-ol
SMILESCOc1cc(Nc2nc(-c3ccc4cn[nH]c4c3)cn3ccnc23)ccc1N1CCC(O)CC1
InChIInChI=1S/C25H25N7O2/c1-34-23-13-18(4-5-22(23)31-9-6-19(33)7-10-31)28-24-25-26-8-11-32(25)15-21(29-24)16-2-3-17-14-27-30-20(17)12-16/h2-5,8,11-15,19,33H,6-7,9-10H2,1H3,(H,27,30)(H,28,29)
InChIKeyCHFHZJRVDQBYRH-UHFFFAOYSA-N
XLogP3.99
TPSA103.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-ol?
The IUPAC name of 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-ol (CID 59473477) is 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-ol?
The canonical SMILES for 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-ol is COc1cc(Nc2nc(-c3ccc4cn[nH]c4c3)cn3ccnc23)ccc1N1CCC(O)CC1.
What is the InChIKey of 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-ol?
The InChIKey is CHFHZJRVDQBYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-34-23-13-18(4-5-22(23)31-9-6-19(33)7-10-31)28-24-25-26-8-11-32(25)15-21(29-24)16-2-3-17-14-27-30-20(17)12-16/h2-5,8,11-15,19,33H,6-7,9-10H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-ol?
1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-ol has a molecular weight of 455.52 g/mol, XLogP of 3.99, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-ol is sourced from PubChem (CID 59473477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).