4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C21H22N8O — CID 118869319

IUPAC4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESc1cc(-c2nccc3c(N4CCn5ccnc5C4)cc(N4CCOCC4)nc23)[nH]n1
InChIInChI=1S/C21H22N8O/c1-3-23-21(16-2-4-24-26-16)20-15(1)17(13-18(25-20)28-9-11-30-12-10-28)29-8-7-27-6-5-22-19(27)14-29/h1-6,13H,7-12,14H2,(H,24,26)
InChIKeyLJYOUKBOULWTIE-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.07
Rot. Bonds3

About 4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869319) has the molecular formula C21H22N8O and a molecular weight of 402.46 g/mol. Its IUPAC name is 4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869319
Molecular FormulaC21H22N8O
Molecular Weight402.46 g/mol
Exact Mass402.19
IUPAC Name4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESc1cc(-c2nccc3c(N4CCn5ccnc5C4)cc(N4CCOCC4)nc23)[nH]n1
InChIInChI=1S/C21H22N8O/c1-3-23-21(16-2-4-24-26-16)20-15(1)17(13-18(25-20)28-9-11-30-12-10-28)29-8-7-27-6-5-22-19(27)14-29/h1-6,13H,7-12,14H2,(H,24,26)
InChIKeyLJYOUKBOULWTIE-UHFFFAOYSA-N
XLogP2.07
TPSA87.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869319) is 4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is c1cc(-c2nccc3c(N4CCn5ccnc5C4)cc(N4CCOCC4)nc23)[nH]n1.
What is the InChIKey of 4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is LJYOUKBOULWTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O/c1-3-23-21(16-2-4-24-26-16)20-15(1)17(13-18(25-20)28-9-11-30-12-10-28)29-8-7-27-6-5-22-19(27)14-29/h1-6,13H,7-12,14H2,(H,24,26).
What are the key properties of 4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 402.46 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).