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

C20H21N7O — CID 118869099

IUPAC(3R)-3-methyl-4-[4-(4-methyl-1H-pyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1cn[nH]c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C20H21N7O/c1-12-10-23-26-18(12)15-9-17(27-7-8-28-11-13(27)2)24-19-14(15)3-5-21-20(19)16-4-6-22-25-16/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,22,25)(H,23,26)/t13-/m1/s1
InChIKeyZVINRRBWLLBRDY-CYBMUJFWSA-N
MW375.44 g/mol
LogP2.94
Rot. Bonds3

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

(3R)-3-methyl-4-[4-(4-methyl-1H-pyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869099) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is (3R)-3-methyl-4-[4-(4-methyl-1H-pyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[4-(4-methyl-1H-pyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869099
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name(3R)-3-methyl-4-[4-(4-methyl-1H-pyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1cn[nH]c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C20H21N7O/c1-12-10-23-26-18(12)15-9-17(27-7-8-28-11-13(27)2)24-19-14(15)3-5-21-20(19)16-4-6-22-25-16/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,22,25)(H,23,26)/t13-/m1/s1
InChIKeyZVINRRBWLLBRDY-CYBMUJFWSA-N
XLogP2.94
TPSA95.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[4-(4-methyl-1H-pyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[4-(4-methyl-1H-pyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869099) is (3R)-3-methyl-4-[4-(4-methyl-1H-pyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[4-(4-methyl-1H-pyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[4-(4-methyl-1H-pyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is Cc1cn[nH]c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of (3R)-3-methyl-4-[4-(4-methyl-1H-pyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is ZVINRRBWLLBRDY-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21N7O/c1-12-10-23-26-18(12)15-9-17(27-7-8-28-11-13(27)2)24-19-14(15)3-5-21-20(19)16-4-6-22-25-16/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,22,25)(H,23,26)/t13-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[4-(4-methyl-1H-pyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
(3R)-3-methyl-4-[4-(4-methyl-1H-pyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 375.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[4-(4-methyl-1H-pyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).