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

C21H23N7O — CID 130229162

IUPAC(3R)-3-methyl-4-[5-methyl-4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3cncn3C)c12
InChIInChI=1S/C21H23N7O/c1-13-9-23-20(16-4-5-24-26-16)21-19(13)15(17-10-22-12-27(17)3)8-18(25-21)28-6-7-29-11-14(28)2/h4-5,8-10,12,14H,6-7,11H2,1-3H3,(H,24,26)/t14-/m1/s1
InChIKeyORCLMIDYEJMJAU-CQSZACIVSA-N
MW389.46 g/mol
LogP2.95
Rot. Bonds3

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

(3R)-3-methyl-4-[5-methyl-4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 130229162) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is (3R)-3-methyl-4-[5-methyl-4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[5-methyl-4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID130229162
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name(3R)-3-methyl-4-[5-methyl-4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3cncn3C)c12
InChIInChI=1S/C21H23N7O/c1-13-9-23-20(16-4-5-24-26-16)21-19(13)15(17-10-22-12-27(17)3)8-18(25-21)28-6-7-29-11-14(28)2/h4-5,8-10,12,14H,6-7,11H2,1-3H3,(H,24,26)/t14-/m1/s1
InChIKeyORCLMIDYEJMJAU-CQSZACIVSA-N
XLogP2.95
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.95
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-[5-methyl-4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[5-methyl-4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 130229162) is (3R)-3-methyl-4-[5-methyl-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-[5-methyl-4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[5-methyl-4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is Cc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3cncn3C)c12.
What is the InChIKey of (3R)-3-methyl-4-[5-methyl-4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is ORCLMIDYEJMJAU-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N7O/c1-13-9-23-20(16-4-5-24-26-16)21-19(13)15(17-10-22-12-27(17)3)8-18(25-21)28-6-7-29-11-14(28)2/h4-5,8-10,12,14H,6-7,11H2,1-3H3,(H,24,26)/t14-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[5-methyl-4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
(3R)-3-methyl-4-[5-methyl-4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 389.46 g/mol, XLogP of 2.95, 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-[5-methyl-4-(3-methylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 130229162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).