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

C25H24N6O — CID 130228606

IUPAC(3R)-4-[4-(1H-indol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3cccc4[nH]ccc34)c12
InChIInChI=1S/C25H24N6O/c1-15-13-27-24(21-7-9-28-30-21)25-23(15)19(17-4-3-5-20-18(17)6-8-26-20)12-22(29-25)31-10-11-32-14-16(31)2/h3-9,12-13,16,26H,10-11,14H2,1-2H3,(H,28,30)/t16-/m1/s1
InChIKeyMATBIODSLGTTFH-MRXNPFEDSA-N
MW424.51 g/mol
LogP4.70
Rot. Bonds3

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

(3R)-4-[4-(1H-indol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 130228606) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is (3R)-4-[4-(1H-indol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(1H-indol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID130228606
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name(3R)-4-[4-(1H-indol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3cccc4[nH]ccc34)c12
InChIInChI=1S/C25H24N6O/c1-15-13-27-24(21-7-9-28-30-21)25-23(15)19(17-4-3-5-20-18(17)6-8-26-20)12-22(29-25)31-10-11-32-14-16(31)2/h3-9,12-13,16,26H,10-11,14H2,1-2H3,(H,28,30)/t16-/m1/s1
InChIKeyMATBIODSLGTTFH-MRXNPFEDSA-N
XLogP4.70
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(1H-indol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(1H-indol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 130228606) is (3R)-4-[4-(1H-indol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(1H-indol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(1H-indol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is Cc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3cccc4[nH]ccc34)c12.
What is the InChIKey of (3R)-4-[4-(1H-indol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is MATBIODSLGTTFH-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H24N6O/c1-15-13-27-24(21-7-9-28-30-21)25-23(15)19(17-4-3-5-20-18(17)6-8-26-20)12-22(29-25)31-10-11-32-14-16(31)2/h3-9,12-13,16,26H,10-11,14H2,1-2H3,(H,28,30)/t16-/m1/s1.
What are the key properties of (3R)-4-[4-(1H-indol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(1H-indol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 424.51 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(1H-indol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 130228606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).