6-(3H-isoindol-5-yl)-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine

C23H21N7O — CID 147179329

IUPAC6-(3H-isoindol-5-yl)-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
SMILESC1=NCc2cc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)nc4)n3)ccc21
InChIInChI=1S/C23H21N7O/c1-2-17-12-24-13-18(17)11-16(1)20-15-30-6-5-25-23(30)22(28-20)27-19-3-4-21(26-14-19)29-7-9-31-10-8-29/h1-6,11-12,14-15H,7-10,13H2,(H,27,28)
InChIKeyBZGTUTLFYQQWRN-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.30
Rot. Bonds4

About 6-(3H-isoindol-5-yl)-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine

6-(3H-isoindol-5-yl)-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 147179329) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is 6-(3H-isoindol-5-yl)-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(3H-isoindol-5-yl)-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID147179329
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name6-(3H-isoindol-5-yl)-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
SMILESC1=NCc2cc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)nc4)n3)ccc21
InChIInChI=1S/C23H21N7O/c1-2-17-12-24-13-18(17)11-16(1)20-15-30-6-5-25-23(30)22(28-20)27-19-3-4-21(26-14-19)29-7-9-31-10-8-29/h1-6,11-12,14-15H,7-10,13H2,(H,27,28)
InChIKeyBZGTUTLFYQQWRN-UHFFFAOYSA-N
XLogP3.30
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3H-isoindol-5-yl)-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-(3H-isoindol-5-yl)-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine (CID 147179329) is 6-(3H-isoindol-5-yl)-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-(3H-isoindol-5-yl)-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-(3H-isoindol-5-yl)-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine is C1=NCc2cc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)nc4)n3)ccc21.
What is the InChIKey of 6-(3H-isoindol-5-yl)-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is BZGTUTLFYQQWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c1-2-17-12-24-13-18(17)11-16(1)20-15-30-6-5-25-23(30)22(28-20)27-19-3-4-21(26-14-19)29-7-9-31-10-8-29/h1-6,11-12,14-15H,7-10,13H2,(H,27,28).
What are the key properties of 6-(3H-isoindol-5-yl)-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?
6-(3H-isoindol-5-yl)-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 411.47 g/mol, XLogP of 3.30, 4 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-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 147179329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).