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

C23H24N6O — CID 118869392

IUPAC(3R)-4-[4-(5,6-dimethyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1cc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)cnc1C
InChIInChI=1S/C23H24N6O/c1-14-10-17(12-25-16(14)3)19-11-21(29-8-9-30-13-15(29)2)27-22-18(19)4-6-24-23(22)20-5-7-26-28-20/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,26,28)/t15-/m1/s1
InChIKeySSJDINWIJKEIPL-OAHLLOKOSA-N
MW400.49 g/mol
LogP3.92
Rot. Bonds3

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

(3R)-4-[4-(5,6-dimethyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118869392) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is (3R)-4-[4-(5,6-dimethyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(5,6-dimethyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118869392
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name(3R)-4-[4-(5,6-dimethyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1cc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)cnc1C
InChIInChI=1S/C23H24N6O/c1-14-10-17(12-25-16(14)3)19-11-21(29-8-9-30-13-15(29)2)27-22-18(19)4-6-24-23(22)20-5-7-26-28-20/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,26,28)/t15-/m1/s1
InChIKeySSJDINWIJKEIPL-OAHLLOKOSA-N
XLogP3.92
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(5,6-dimethyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(5,6-dimethyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118869392) is (3R)-4-[4-(5,6-dimethyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(5,6-dimethyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(5,6-dimethyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is Cc1cc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)cnc1C.
What is the InChIKey of (3R)-4-[4-(5,6-dimethyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is SSJDINWIJKEIPL-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24N6O/c1-14-10-17(12-25-16(14)3)19-11-21(29-8-9-30-13-15(29)2)27-22-18(19)4-6-24-23(22)20-5-7-26-28-20/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,26,28)/t15-/m1/s1.
What are the key properties of (3R)-4-[4-(5,6-dimethyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(5,6-dimethyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 400.49 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(5,6-dimethyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118869392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).