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

C19H23N5O2 — CID 118890650

IUPAC(3R)-3-methyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCC(C)Oc1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C19H23N5O2/c1-12(2)26-16-10-17(24-8-9-25-11-13(24)3)22-18-14(16)4-6-20-19(18)15-5-7-21-23-15/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,21,23)/t13-/m1/s1
InChIKeyKHKWQJQESOKKHK-CYBMUJFWSA-N
MW353.43 g/mol
LogP3.03
Rot. Bonds4

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

(3R)-3-methyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118890650) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (3R)-3-methyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118890650
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(3R)-3-methyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCC(C)Oc1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C19H23N5O2/c1-12(2)26-16-10-17(24-8-9-25-11-13(24)3)22-18-14(16)4-6-20-19(18)15-5-7-21-23-15/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,21,23)/t13-/m1/s1
InChIKeyKHKWQJQESOKKHK-CYBMUJFWSA-N
XLogP3.03
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.03
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-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118890650) is (3R)-3-methyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is CC(C)Oc1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of (3R)-3-methyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is KHKWQJQESOKKHK-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12(2)26-16-10-17(24-8-9-25-11-13(24)3)22-18-14(16)4-6-20-19(18)15-5-7-21-23-15/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,21,23)/t13-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
(3R)-3-methyl-4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 353.43 g/mol, XLogP of 3.03, 4 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-propan-2-yloxy-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118890650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).