4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine

C27H32N8O2 — CID 134446334

IUPAC4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCC1COCCN1c1cc(N2CCn3ccnc3C2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C27H32N8O2/c1-19-18-36-15-13-34(19)23-16-22(33-12-11-32-10-9-28-24(32)17-33)20-5-7-29-27(26(20)31-23)21-6-8-30-35(21)25-4-2-3-14-37-25/h5-10,16,19,25H,2-4,11-15,17-18H2,1H3
InChIKeyJIKDIJPAUMERDG-UHFFFAOYSA-N
MW500.61 g/mol
LogP3.63
Rot. Bonds4

About 4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine

4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 134446334) has the molecular formula C27H32N8O2 and a molecular weight of 500.61 g/mol. Its IUPAC name is 4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID134446334
Molecular FormulaC27H32N8O2
Molecular Weight500.61 g/mol
Exact Mass500.26
IUPAC Name4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCC1COCCN1c1cc(N2CCn3ccnc3C2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C27H32N8O2/c1-19-18-36-15-13-34(19)23-16-22(33-12-11-32-10-9-28-24(32)17-33)20-5-7-29-27(26(20)31-23)21-6-8-30-35(21)25-4-2-3-14-37-25/h5-10,16,19,25H,2-4,11-15,17-18H2,1H3
InChIKeyJIKDIJPAUMERDG-UHFFFAOYSA-N
XLogP3.63
TPSA86.36 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.61
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine with MolForge

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Related Compounds

4-[4-chloro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446399
4-[4-cyclopropyl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 118869367
4-[4-(2,3-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446578
3-methyl-4-[4-(3-methyl-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
CID 134446600
3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(2-propylpyrazol-3-yl)-1,7-naphthyridin-2-yl]morpholine
CID 134446428
(3R)-4-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 118890738
3-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyridin-2-amine
CID 118869281
4-[4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
CID 118869130
(3R)-3-methyl-4-[4-(2-methyl-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
CID 118890587
(3R)-4-[5-fluoro-8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 170688179
(3R)-4-[5-fluoro-8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 167020263
(3R)-3-methyl-4-[3-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-7-morpholin-4-yl-[1,2]thiazolo[4,5-b]pyridin-5-yl]morpholine
CID 175910796

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of 4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 134446334) is 4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for 4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for 4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine is CC1COCCN1c1cc(N2CCn3ccnc3C2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1.
What is the InChIKey of 4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is JIKDIJPAUMERDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O2/c1-19-18-36-15-13-34(19)23-16-22(33-12-11-32-10-9-28-24(32)17-33)20-5-7-29-27(26(20)31-23)21-6-8-30-35(21)25-4-2-3-14-37-25/h5-10,16,19,25H,2-4,11-15,17-18H2,1H3.
What are the key properties of 4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 500.61 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 10 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-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 134446334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).