(3R)-4-[4-(1H-indol-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

C25H24N6O — CID 130228608

IUPAC(3R)-4-[4-(1H-indol-6-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(-c3ccc4cc[nH]c4c3)c12
InChIInChI=1S/C25H24N6O/c1-15-13-27-24(20-6-8-28-30-20)25-23(15)19(18-4-3-17-5-7-26-21(17)11-18)12-22(29-25)31-9-10-32-14-16(31)2/h3-8,11-13,16,26H,9-10,14H2,1-2H3,(H,28,30)/t16-/m1/s1
InChIKeyHCDJCBNVDORPMG-MRXNPFEDSA-N
MW424.51 g/mol
LogP4.70
Rot. Bonds3

About (3R)-4-[4-(1H-indol-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

(3R)-4-[4-(1H-indol-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 130228608) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is (3R)-4-[4-(1H-indol-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(1H-indol-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID130228608
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name(3R)-4-[4-(1H-indol-6-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(-c3ccc4cc[nH]c4c3)c12
InChIInChI=1S/C25H24N6O/c1-15-13-27-24(20-6-8-28-30-20)25-23(15)19(18-4-3-17-5-7-26-21(17)11-18)12-22(29-25)31-9-10-32-14-16(31)2/h3-8,11-13,16,26H,9-10,14H2,1-2H3,(H,28,30)/t16-/m1/s1
InChIKeyHCDJCBNVDORPMG-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-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(1H-indol-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 130228608) is (3R)-4-[4-(1H-indol-6-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-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(1H-indol-6-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(-c3ccc4cc[nH]c4c3)c12.
What is the InChIKey of (3R)-4-[4-(1H-indol-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is HCDJCBNVDORPMG-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H24N6O/c1-15-13-27-24(20-6-8-28-30-20)25-23(15)19(18-4-3-17-5-7-26-21(17)11-18)12-22(29-25)31-9-10-32-14-16(31)2/h3-8,11-13,16,26H,9-10,14H2,1-2H3,(H,28,30)/t16-/m1/s1.
What are the key properties of (3R)-4-[4-(1H-indol-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(1H-indol-6-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-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 130228608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).