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

C25H25N7O — CID 59473148

IUPAC1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)CC1
InChIInChI=1S/C25H25N7O/c1-25(33)8-11-31(12-9-25)20-6-4-19(5-7-20)28-23-24-26-10-13-32(24)16-22(29-23)17-2-3-18-15-27-30-21(18)14-17/h2-7,10,13-16,33H,8-9,11-12H2,1H3,(H,27,30)(H,28,29)
InChIKeyDOVPFYVNKOVWHA-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.37
Rot. Bonds4

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

1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol (PubChem CID 59473148) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol
PubChem CID59473148
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)CC1
InChIInChI=1S/C25H25N7O/c1-25(33)8-11-31(12-9-25)20-6-4-19(5-7-20)28-23-24-26-10-13-32(24)16-22(29-23)17-2-3-18-15-27-30-21(18)14-17/h2-7,10,13-16,33H,8-9,11-12H2,1H3,(H,27,30)(H,28,29)
InChIKeyDOVPFYVNKOVWHA-UHFFFAOYSA-N
XLogP4.37
TPSA94.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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]phenyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol (CID 59473148) is 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol is CC1(O)CCN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)CC1.
What is the InChIKey of 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol?
The InChIKey is DOVPFYVNKOVWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-25(33)8-11-31(12-9-25)20-6-4-19(5-7-20)28-23-24-26-10-13-32(24)16-22(29-23)17-2-3-18-15-27-30-21(18)14-17/h2-7,10,13-16,33H,8-9,11-12H2,1H3,(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]phenyl]-4-methylpiperidin-4-ol?
1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol has a molecular weight of 439.52 g/mol, XLogP of 4.37, 4 rotatable bonds, 3 hydrogen bond donors, and 7 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]phenyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 59473148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).