2-methyl-1-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propan-2-ol;4-[4-(oxolan-2-ylmethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C39H46N10O6 — CID 135313308

IUPAC2-methyl-1-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propan-2-ol;4-[4-(oxolan-2-ylmethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCC(C)(O)COc1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.c1cc(-c2nccc3c(OCC4CCCO4)cc(N4CCOCC4)nc23)[nH]n1
InChIInChI=1S/C20H23N5O3.C19H23N5O3/c1-2-14(27-9-1)13-28-17-12-18(25-7-10-26-11-8-25)23-19-15(17)3-5-21-20(19)16-4-6-22-24-16;1-19(2,25)12-27-15-11-16(24-7-9-26-10-8-24)22-17-13(15)3-5-20-18(17)14-4-6-21-23-14/h3-6,12,14H,1-2,7-11,13H2,(H,22,24);3-6,11,25H,7-10,12H2,1-2H3,(H,21,23)
InChIKeyWZTPMMXYWBIDJE-UHFFFAOYSA-N
MW750.86 g/mol
LogP4.42
Rot. Bonds10

About 2-methyl-1-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propan-2-ol;4-[4-(oxolan-2-ylmethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

2-methyl-1-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propan-2-ol;4-[4-(oxolan-2-ylmethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 135313308) has the molecular formula C39H46N10O6 and a molecular weight of 750.86 g/mol. Its IUPAC name is 2-methyl-1-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propan-2-ol;4-[4-(oxolan-2-ylmethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name2-methyl-1-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propan-2-ol;4-[4-(oxolan-2-ylmethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID135313308
Molecular FormulaC39H46N10O6
Molecular Weight750.86 g/mol
Exact Mass750.36
IUPAC Name2-methyl-1-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propan-2-ol;4-[4-(oxolan-2-ylmethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCC(C)(O)COc1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.c1cc(-c2nccc3c(OCC4CCCO4)cc(N4CCOCC4)nc23)[nH]n1
InChIInChI=1S/C20H23N5O3.C19H23N5O3/c1-2-14(27-9-1)13-28-17-12-18(25-7-10-26-11-8-25)23-19-15(17)3-5-21-20(19)16-4-6-22-24-16;1-19(2,25)12-27-15-11-16(24-7-9-26-10-8-24)22-17-13(15)3-5-20-18(17)14-4-6-21-23-14/h3-6,12,14H,1-2,7-11,13H2,(H,22,24);3-6,11,25H,7-10,12H2,1-2H3,(H,21,23)
InChIKeyWZTPMMXYWBIDJE-UHFFFAOYSA-N
XLogP4.42
TPSA181.78 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.86
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 2-methyl-1-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propan-2-ol;4-[4-(oxolan-2-ylmethoxy)-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 2-methyl-1-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propan-2-ol;4-[4-(oxolan-2-ylmethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 2-methyl-1-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propan-2-ol;4-[4-(oxolan-2-ylmethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 135313308) is 2-methyl-1-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propan-2-ol;4-[4-(oxolan-2-ylmethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 2-methyl-1-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propan-2-ol;4-[4-(oxolan-2-ylmethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 2-methyl-1-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propan-2-ol;4-[4-(oxolan-2-ylmethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is CC(C)(O)COc1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.c1cc(-c2nccc3c(OCC4CCCO4)cc(N4CCOCC4)nc23)[nH]n1.
What is the InChIKey of 2-methyl-1-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propan-2-ol;4-[4-(oxolan-2-ylmethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is WZTPMMXYWBIDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3.C19H23N5O3/c1-2-14(27-9-1)13-28-17-12-18(25-7-10-26-11-8-25)23-19-15(17)3-5-21-20(19)16-4-6-22-24-16;1-19(2,25)12-27-15-11-16(24-7-9-26-10-8-24)22-17-13(15)3-5-20-18(17)14-4-6-21-23-14/h3-6,12,14H,1-2,7-11,13H2,(H,22,24);3-6,11,25H,7-10,12H2,1-2H3,(H,21,23).
What are the key properties of 2-methyl-1-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propan-2-ol;4-[4-(oxolan-2-ylmethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
2-methyl-1-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propan-2-ol;4-[4-(oxolan-2-ylmethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 750.86 g/mol, XLogP of 4.42, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propan-2-ol;4-[4-(oxolan-2-ylmethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 135313308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).