6-(1H-indazol-6-yl)-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine

C26H25N7O — CID 59473417

IUPAC6-(1H-indazol-6-yl)-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESc1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CC5(CCOCC5)C4)cc3)c2n1
InChIInChI=1S/C26H25N7O/c1-2-19-14-28-31-22(19)13-18(1)23-15-32-10-9-27-25(32)24(30-23)29-20-3-5-21(6-4-20)33-16-26(17-33)7-11-34-12-8-26/h1-6,9-10,13-15H,7-8,11-12,16-17H2,(H,28,31)(H,29,30)
InChIKeyQWDPLTNITSUDPA-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.63
Rot. Bonds4

About 6-(1H-indazol-6-yl)-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine

6-(1H-indazol-6-yl)-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 59473417) has the molecular formula C26H25N7O and a molecular weight of 451.53 g/mol. Its IUPAC name is 6-(1H-indazol-6-yl)-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(1H-indazol-6-yl)-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID59473417
Molecular FormulaC26H25N7O
Molecular Weight451.53 g/mol
Exact Mass451.21
IUPAC Name6-(1H-indazol-6-yl)-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESc1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CC5(CCOCC5)C4)cc3)c2n1
InChIInChI=1S/C26H25N7O/c1-2-19-14-28-31-22(19)13-18(1)23-15-32-10-9-27-25(32)24(30-23)29-20-3-5-21(6-4-20)33-16-26(17-33)7-11-34-12-8-26/h1-6,9-10,13-15H,7-8,11-12,16-17H2,(H,28,31)(H,29,30)
InChIKeyQWDPLTNITSUDPA-UHFFFAOYSA-N
XLogP4.63
TPSA83.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
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 6-(1H-indazol-6-yl)-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-(1H-indazol-6-yl)-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 59473417) is 6-(1H-indazol-6-yl)-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-(1H-indazol-6-yl)-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-(1H-indazol-6-yl)-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine is c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CC5(CCOCC5)C4)cc3)c2n1.
What is the InChIKey of 6-(1H-indazol-6-yl)-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is QWDPLTNITSUDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O/c1-2-19-14-28-31-22(19)13-18(1)23-15-32-10-9-27-25(32)24(30-23)29-20-3-5-21(6-4-20)33-16-26(17-33)7-11-34-12-8-26/h1-6,9-10,13-15H,7-8,11-12,16-17H2,(H,28,31)(H,29,30).
What are the key properties of 6-(1H-indazol-6-yl)-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
6-(1H-indazol-6-yl)-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 451.53 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-6-yl)-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 59473417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).