6-(3H-isoindol-5-yl)-N-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine

C27H27N5O3 — CID 152848131

IUPAC6-(3H-isoindol-5-yl)-N-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)ccc1OCC1CCOCC1
InChIInChI=1S/C27H27N5O3/c1-33-25-13-22(4-5-24(25)35-17-18-6-10-34-11-7-18)30-26-27-29-8-9-32(27)16-23(31-26)19-2-3-20-14-28-15-21(20)12-19/h2-5,8-9,12-14,16,18H,6-7,10-11,15,17H2,1H3,(H,30,31)
InChIKeyTUQMLUFPCUFAKN-UHFFFAOYSA-N
MW469.55 g/mol
LogP4.89
Rot. Bonds7

About 6-(3H-isoindol-5-yl)-N-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine

6-(3H-isoindol-5-yl)-N-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 152848131) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is 6-(3H-isoindol-5-yl)-N-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(3H-isoindol-5-yl)-N-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID152848131
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC Name6-(3H-isoindol-5-yl)-N-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)ccc1OCC1CCOCC1
InChIInChI=1S/C27H27N5O3/c1-33-25-13-22(4-5-24(25)35-17-18-6-10-34-11-7-18)30-26-27-29-8-9-32(27)16-23(31-26)19-2-3-20-14-28-15-21(20)12-19/h2-5,8-9,12-14,16,18H,6-7,10-11,15,17H2,1H3,(H,30,31)
InChIKeyTUQMLUFPCUFAKN-UHFFFAOYSA-N
XLogP4.89
TPSA82.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(3H-isoindol-5-yl)-N-[3-methoxy-4-(2-methoxyethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 147310764
4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methyl-N-(oxan-4-yl)benzamide
CID 148723889
5-[8-(4-ethoxy-3-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-1,3-dihydroinden-2-one
CID 158964988
6-(3H-isoindol-5-yl)-N-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 147798212
N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine
CID 158104618
N-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473196
6-(3-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473185
6-(2,3-dihydro-1H-indol-6-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473507
6-(1,3-benzothiazol-6-yl)-N-(4-ethoxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473329
N-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine
CID 158104617
7-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-1H-quinolin-2-one
CID 59473373
1-(3-hydroxy-3-methylazetidin-1-yl)-2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]ethanone
CID 153092073

Frequently Asked Questions

What is the IUPAC name of 6-(3H-isoindol-5-yl)-N-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-(3H-isoindol-5-yl)-N-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 152848131) is 6-(3H-isoindol-5-yl)-N-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-(3H-isoindol-5-yl)-N-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-(3H-isoindol-5-yl)-N-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine is COc1cc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)ccc1OCC1CCOCC1.
What is the InChIKey of 6-(3H-isoindol-5-yl)-N-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is TUQMLUFPCUFAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c1-33-25-13-22(4-5-24(25)35-17-18-6-10-34-11-7-18)30-26-27-29-8-9-32(27)16-23(31-26)19-2-3-20-14-28-15-21(20)12-19/h2-5,8-9,12-14,16,18H,6-7,10-11,15,17H2,1H3,(H,30,31).
What are the key properties of 6-(3H-isoindol-5-yl)-N-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine?
6-(3H-isoindol-5-yl)-N-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 469.55 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3H-isoindol-5-yl)-N-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 152848131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).