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

C20H21N7O — CID 118869176

IUPAC(3R)-3-methyl-4-[4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESC[C@@H]1COCCN1c1cc(-c2cncn2C)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C20H21N7O/c1-13-11-28-8-7-27(13)18-9-15(17-10-21-12-26(17)2)14-3-5-22-20(19(14)24-18)16-4-6-23-25-16/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,23,25)/t13-/m1/s1
InChIKeyRPEQRNIMAGWHDH-CYBMUJFWSA-N
MW375.44 g/mol
LogP2.65
Rot. Bonds3

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

(3R)-3-methyl-4-[4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869176) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is (3R)-3-methyl-4-[4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869176
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name(3R)-3-methyl-4-[4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESC[C@@H]1COCCN1c1cc(-c2cncn2C)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C20H21N7O/c1-13-11-28-8-7-27(13)18-9-15(17-10-21-12-26(17)2)14-3-5-22-20(19(14)24-18)16-4-6-23-25-16/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,23,25)/t13-/m1/s1
InChIKeyRPEQRNIMAGWHDH-CYBMUJFWSA-N
XLogP2.65
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869176) is (3R)-3-methyl-4-[4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is C[C@@H]1COCCN1c1cc(-c2cncn2C)c2ccnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of (3R)-3-methyl-4-[4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is RPEQRNIMAGWHDH-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21N7O/c1-13-11-28-8-7-27(13)18-9-15(17-10-21-12-26(17)2)14-3-5-22-20(19(14)24-18)16-4-6-23-25-16/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,23,25)/t13-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
(3R)-3-methyl-4-[4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 375.44 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).