(3R)-3-methyl-4-[5-methyl-4-(1-methylindol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C26H26N6O — CID 138610662

IUPAC(3R)-3-methyl-4-[5-methyl-4-(1-methylindol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3ccc4c(ccn4C)c3)c12
InChIInChI=1S/C26H26N6O/c1-16-14-27-25(21-6-8-28-30-21)26-24(16)20(13-23(29-26)32-10-11-33-15-17(32)2)18-4-5-22-19(12-18)7-9-31(22)3/h4-9,12-14,17H,10-11,15H2,1-3H3,(H,28,30)/t17-/m1/s1
InChIKeyHMAFHVDVWJJOGN-QGZVFWFLSA-N
MW438.54 g/mol
LogP4.71
Rot. Bonds3

About (3R)-3-methyl-4-[5-methyl-4-(1-methylindol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

(3R)-3-methyl-4-[5-methyl-4-(1-methylindol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 138610662) has the molecular formula C26H26N6O and a molecular weight of 438.54 g/mol. Its IUPAC name is (3R)-3-methyl-4-[5-methyl-4-(1-methylindol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[5-methyl-4-(1-methylindol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID138610662
Molecular FormulaC26H26N6O
Molecular Weight438.54 g/mol
Exact Mass438.22
IUPAC Name(3R)-3-methyl-4-[5-methyl-4-(1-methylindol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3ccc4c(ccn4C)c3)c12
InChIInChI=1S/C26H26N6O/c1-16-14-27-25(21-6-8-28-30-21)26-24(16)20(13-23(29-26)32-10-11-33-15-17(32)2)18-4-5-22-19(12-18)7-9-31(22)3/h4-9,12-14,17H,10-11,15H2,1-3H3,(H,28,30)/t17-/m1/s1
InChIKeyHMAFHVDVWJJOGN-QGZVFWFLSA-N
XLogP4.71
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[5-methyl-4-(1-methylindol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[5-methyl-4-(1-methylindol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 138610662) is (3R)-3-methyl-4-[5-methyl-4-(1-methylindol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[5-methyl-4-(1-methylindol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[5-methyl-4-(1-methylindol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is Cc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3ccc4c(ccn4C)c3)c12.
What is the InChIKey of (3R)-3-methyl-4-[5-methyl-4-(1-methylindol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is HMAFHVDVWJJOGN-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H26N6O/c1-16-14-27-25(21-6-8-28-30-21)26-24(16)20(13-23(29-26)32-10-11-33-15-17(32)2)18-4-5-22-19(12-18)7-9-31(22)3/h4-9,12-14,17H,10-11,15H2,1-3H3,(H,28,30)/t17-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[5-methyl-4-(1-methylindol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
(3R)-3-methyl-4-[5-methyl-4-(1-methylindol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 438.54 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[5-methyl-4-(1-methylindol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 138610662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).