(3R,5R)-3,5-dimethyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C20H25N5O2 — CID 118869143

IUPAC(3R,5R)-3,5-dimethyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCC(C)Oc1cc(N2[C@H](C)COC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C20H25N5O2/c1-12(2)27-17-9-18(25-13(3)10-26-11-14(25)4)23-19-15(17)5-7-21-20(19)16-6-8-22-24-16/h5-9,12-14H,10-11H2,1-4H3,(H,22,24)/t13-,14-/m1/s1
InChIKeyXXIDXEBDJANSDE-ZIAGYGMSSA-N
MW367.45 g/mol
LogP3.42
Rot. Bonds4

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

(3R,5R)-3,5-dimethyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869143) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (3R,5R)-3,5-dimethyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name(3R,5R)-3,5-dimethyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869143
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(3R,5R)-3,5-dimethyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCC(C)Oc1cc(N2[C@H](C)COC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C20H25N5O2/c1-12(2)27-17-9-18(25-13(3)10-26-11-14(25)4)23-19-15(17)5-7-21-20(19)16-6-8-22-24-16/h5-9,12-14H,10-11H2,1-4H3,(H,22,24)/t13-,14-/m1/s1
InChIKeyXXIDXEBDJANSDE-ZIAGYGMSSA-N
XLogP3.42
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3,5-dimethyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of (3R,5R)-3,5-dimethyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869143) is (3R,5R)-3,5-dimethyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for (3R,5R)-3,5-dimethyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for (3R,5R)-3,5-dimethyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is CC(C)Oc1cc(N2[C@H](C)COC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of (3R,5R)-3,5-dimethyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is XXIDXEBDJANSDE-ZIAGYGMSSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-12(2)27-17-9-18(25-13(3)10-26-11-14(25)4)23-19-15(17)5-7-21-20(19)16-6-8-22-24-16/h5-9,12-14H,10-11H2,1-4H3,(H,22,24)/t13-,14-/m1/s1.
What are the key properties of (3R,5R)-3,5-dimethyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
(3R,5R)-3,5-dimethyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 367.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3,5-dimethyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).