methyl 5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine-4-carboxylate

C19H21N5O3 — CID 130228837

IUPACmethyl 5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)ncc(C)c12
InChIInChI=1S/C19H21N5O3/c1-11-9-20-17(14-4-5-21-23-14)18-16(11)13(19(25)26-3)8-15(22-18)24-6-7-27-10-12(24)2/h4-5,8-9,12H,6-7,10H2,1-3H3,(H,21,23)/t12-/m1/s1
InChIKeyICRLFNNZXAVRSM-GFCCVEGCSA-N
MW367.41 g/mol
LogP2.34
Rot. Bonds3

About methyl 5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine-4-carboxylate

methyl 5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine-4-carboxylate (PubChem CID 130228837) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is methyl 5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine-4-carboxylate
PubChem CID130228837
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Namemethyl 5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)ncc(C)c12
InChIInChI=1S/C19H21N5O3/c1-11-9-20-17(14-4-5-21-23-14)18-16(11)13(19(25)26-3)8-15(22-18)24-6-7-27-10-12(24)2/h4-5,8-9,12H,6-7,10H2,1-3H3,(H,21,23)/t12-/m1/s1
InChIKeyICRLFNNZXAVRSM-GFCCVEGCSA-N
XLogP2.34
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine-4-carboxylate (CID 130228837) is methyl 5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine-4-carboxylate is COC(=O)c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)ncc(C)c12.
What is the InChIKey of methyl 5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine-4-carboxylate?
The InChIKey is ICRLFNNZXAVRSM-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-11-9-20-17(14-4-5-21-23-14)18-16(11)13(19(25)26-3)8-15(22-18)24-6-7-27-10-12(24)2/h4-5,8-9,12H,6-7,10H2,1-3H3,(H,21,23)/t12-/m1/s1.
What are the key properties of methyl 5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine-4-carboxylate?
methyl 5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine-4-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine-4-carboxylate is sourced from PubChem (CID 130228837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).