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

C22H28N6O — CID 118869626

IUPAC(3R)-3-methyl-4-[4-(1-methylpiperidin-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESC[C@@H]1COCCN1c1cc(C2CCCN(C)C2)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C22H28N6O/c1-15-14-29-11-10-28(15)20-12-18(16-4-3-9-27(2)13-16)17-5-7-23-22(21(17)25-20)19-6-8-24-26-19/h5-8,12,15-16H,3-4,9-11,13-14H2,1-2H3,(H,24,26)/t15-,16?/m1/s1
InChIKeyNTAYMOYFQMJCBC-AAFJCEBUSA-N
MW392.51 g/mol
LogP3.05
Rot. Bonds3

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

(3R)-3-methyl-4-[4-(1-methylpiperidin-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869626) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is (3R)-3-methyl-4-[4-(1-methylpiperidin-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[4-(1-methylpiperidin-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869626
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name(3R)-3-methyl-4-[4-(1-methylpiperidin-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESC[C@@H]1COCCN1c1cc(C2CCCN(C)C2)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C22H28N6O/c1-15-14-29-11-10-28(15)20-12-18(16-4-3-9-27(2)13-16)17-5-7-23-22(21(17)25-20)19-6-8-24-26-19/h5-8,12,15-16H,3-4,9-11,13-14H2,1-2H3,(H,24,26)/t15-,16?/m1/s1
InChIKeyNTAYMOYFQMJCBC-AAFJCEBUSA-N
XLogP3.05
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.05
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-[4-(1-methylpiperidin-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[4-(1-methylpiperidin-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869626) is (3R)-3-methyl-4-[4-(1-methylpiperidin-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[4-(1-methylpiperidin-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[4-(1-methylpiperidin-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is C[C@@H]1COCCN1c1cc(C2CCCN(C)C2)c2ccnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of (3R)-3-methyl-4-[4-(1-methylpiperidin-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is NTAYMOYFQMJCBC-AAFJCEBUSA-N. The full InChI is InChI=1S/C22H28N6O/c1-15-14-29-11-10-28(15)20-12-18(16-4-3-9-27(2)13-16)17-5-7-23-22(21(17)25-20)19-6-8-24-26-19/h5-8,12,15-16H,3-4,9-11,13-14H2,1-2H3,(H,24,26)/t15-,16?/m1/s1.
What are the key properties of (3R)-3-methyl-4-[4-(1-methylpiperidin-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
(3R)-3-methyl-4-[4-(1-methylpiperidin-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 392.51 g/mol, XLogP of 3.05, 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-[4-(1-methylpiperidin-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).