(3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

C17H17F2N5O2 — CID 118869316

IUPAC(3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(OC(F)F)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C17H17F2N5O2/c1-10-9-25-7-6-24(10)14-8-13(26-17(18)19)11-2-4-20-16(15(11)22-14)12-3-5-21-23-12/h2-5,8,10,17H,6-7,9H2,1H3,(H,21,23)/t10-/m1/s1
InChIKeyIHQGYSJQQFIBGL-SNVBAGLBSA-N
MW361.35 g/mol
LogP2.85
Rot. Bonds4

About (3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

(3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118869316) has the molecular formula C17H17F2N5O2 and a molecular weight of 361.35 g/mol. Its IUPAC name is (3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118869316
Molecular FormulaC17H17F2N5O2
Molecular Weight361.35 g/mol
Exact Mass361.14
IUPAC Name(3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(OC(F)F)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C17H17F2N5O2/c1-10-9-25-7-6-24(10)14-8-13(26-17(18)19)11-2-4-20-16(15(11)22-14)12-3-5-21-23-12/h2-5,8,10,17H,6-7,9H2,1H3,(H,21,23)/t10-/m1/s1
InChIKeyIHQGYSJQQFIBGL-SNVBAGLBSA-N
XLogP2.85
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118869316) is (3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(OC(F)F)c2ccnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of (3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is IHQGYSJQQFIBGL-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H17F2N5O2/c1-10-9-25-7-6-24(10)14-8-13(26-17(18)19)11-2-4-20-16(15(11)22-14)12-3-5-21-23-12/h2-5,8,10,17H,6-7,9H2,1H3,(H,21,23)/t10-/m1/s1.
What are the key properties of (3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 361.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118869316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).