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

C21H19ClN6O — CID 118869262

IUPAC(3R)-4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2cncc(Cl)c2)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C21H19ClN6O/c1-13-12-29-7-6-28(13)19-9-17(14-8-15(22)11-23-10-14)16-2-4-24-21(20(16)26-19)18-3-5-25-27-18/h2-5,8-11,13H,6-7,12H2,1H3,(H,25,27)/t13-/m1/s1
InChIKeyUKOSIOHGHIHLSH-CYBMUJFWSA-N
MW406.88 g/mol
LogP3.96
Rot. Bonds3

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

(3R)-4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118869262) has the molecular formula C21H19ClN6O and a molecular weight of 406.88 g/mol. Its IUPAC name is (3R)-4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118869262
Molecular FormulaC21H19ClN6O
Molecular Weight406.88 g/mol
Exact Mass406.13
IUPAC Name(3R)-4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2cncc(Cl)c2)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C21H19ClN6O/c1-13-12-29-7-6-28(13)19-9-17(14-8-15(22)11-23-10-14)16-2-4-24-21(20(16)26-19)18-3-5-25-27-18/h2-5,8-11,13H,6-7,12H2,1H3,(H,25,27)/t13-/m1/s1
InChIKeyUKOSIOHGHIHLSH-CYBMUJFWSA-N
XLogP3.96
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.88
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118869262) is (3R)-4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(-c2cncc(Cl)c2)c2ccnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of (3R)-4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is UKOSIOHGHIHLSH-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H19ClN6O/c1-13-12-29-7-6-28(13)19-9-17(14-8-15(22)11-23-10-14)16-2-4-24-21(20(16)26-19)18-3-5-25-27-18/h2-5,8-11,13H,6-7,12H2,1H3,(H,25,27)/t13-/m1/s1.
What are the key properties of (3R)-4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 406.88 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118869262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).