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

C21H26N6O — CID 118869518

IUPAC(3R)-3-methyl-4-[4-piperidin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESC[C@@H]1COCCN1c1cc(C2CCNCC2)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C21H26N6O/c1-14-13-28-11-10-27(14)19-12-17(15-2-6-22-7-3-15)16-4-8-23-21(20(16)25-19)18-5-9-24-26-18/h4-5,8-9,12,14-15,22H,2-3,6-7,10-11,13H2,1H3,(H,24,26)/t14-/m1/s1
InChIKeySLDPXKWECQFNGN-CQSZACIVSA-N
MW378.48 g/mol
LogP2.71
Rot. Bonds3

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

(3R)-3-methyl-4-[4-piperidin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869518) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is (3R)-3-methyl-4-[4-piperidin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[4-piperidin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869518
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name(3R)-3-methyl-4-[4-piperidin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESC[C@@H]1COCCN1c1cc(C2CCNCC2)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C21H26N6O/c1-14-13-28-11-10-27(14)19-12-17(15-2-6-22-7-3-15)16-4-8-23-21(20(16)25-19)18-5-9-24-26-18/h4-5,8-9,12,14-15,22H,2-3,6-7,10-11,13H2,1H3,(H,24,26)/t14-/m1/s1
InChIKeySLDPXKWECQFNGN-CQSZACIVSA-N
XLogP2.71
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[4-piperidin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[4-piperidin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869518) is (3R)-3-methyl-4-[4-piperidin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[4-piperidin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[4-piperidin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is C[C@@H]1COCCN1c1cc(C2CCNCC2)c2ccnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of (3R)-3-methyl-4-[4-piperidin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is SLDPXKWECQFNGN-CQSZACIVSA-N. The full InChI is InChI=1S/C21H26N6O/c1-14-13-28-11-10-27(14)19-12-17(15-2-6-22-7-3-15)16-4-8-23-21(20(16)25-19)18-5-9-24-26-18/h4-5,8-9,12,14-15,22H,2-3,6-7,10-11,13H2,1H3,(H,24,26)/t14-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[4-piperidin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
(3R)-3-methyl-4-[4-piperidin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 378.48 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[4-piperidin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).