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

C23H24N6O2 — CID 130228977

IUPAC(3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCOc1ccc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)ncc(C)c23)cn1
InChIInChI=1S/C23H24N6O2/c1-14-11-25-22(18-6-7-26-28-18)23-21(14)17(16-4-5-20(30-3)24-12-16)10-19(27-23)29-8-9-31-13-15(29)2/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,26,28)/t15-/m1/s1
InChIKeyDPFYJOWCUIVMQN-OAHLLOKOSA-N
MW416.49 g/mol
LogP3.62
Rot. Bonds4

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

(3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 130228977) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is (3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID130228977
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name(3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCOc1ccc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)ncc(C)c23)cn1
InChIInChI=1S/C23H24N6O2/c1-14-11-25-22(18-6-7-26-28-18)23-21(14)17(16-4-5-20(30-3)24-12-16)10-19(27-23)29-8-9-31-13-15(29)2/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,26,28)/t15-/m1/s1
InChIKeyDPFYJOWCUIVMQN-OAHLLOKOSA-N
XLogP3.62
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 130228977) is (3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is COc1ccc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)ncc(C)c23)cn1.
What is the InChIKey of (3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is DPFYJOWCUIVMQN-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-14-11-25-22(18-6-7-26-28-18)23-21(14)17(16-4-5-20(30-3)24-12-16)10-19(27-23)29-8-9-31-13-15(29)2/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-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 416.49 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 130228977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).