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

C21H21N5OS — CID 118890530

IUPAC(3R)-3-methyl-4-[4-(5-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1ccc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)s1
InChIInChI=1S/C21H21N5OS/c1-13-12-27-10-9-26(13)19-11-16(18-4-3-14(2)28-18)15-5-7-22-21(20(15)24-19)17-6-8-23-25-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,25)/t13-/m1/s1
InChIKeyBAPIIZQNHFNBTE-CYBMUJFWSA-N
MW391.50 g/mol
LogP4.28
Rot. Bonds3

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

(3R)-3-methyl-4-[4-(5-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118890530) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is (3R)-3-methyl-4-[4-(5-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[4-(5-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118890530
Molecular FormulaC21H21N5OS
Molecular Weight391.50 g/mol
Exact Mass391.15
IUPAC Name(3R)-3-methyl-4-[4-(5-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1ccc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)s1
InChIInChI=1S/C21H21N5OS/c1-13-12-27-10-9-26(13)19-11-16(18-4-3-14(2)28-18)15-5-7-22-21(20(15)24-19)17-6-8-23-25-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,25)/t13-/m1/s1
InChIKeyBAPIIZQNHFNBTE-CYBMUJFWSA-N
XLogP4.28
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[4-(5-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[4-(5-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118890530) is (3R)-3-methyl-4-[4-(5-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[4-(5-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[4-(5-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is Cc1ccc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)s1.
What is the InChIKey of (3R)-3-methyl-4-[4-(5-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is BAPIIZQNHFNBTE-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H21N5OS/c1-13-12-27-10-9-26(13)19-11-16(18-4-3-14(2)28-18)15-5-7-22-21(20(15)24-19)17-6-8-23-25-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,25)/t13-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[4-(5-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
(3R)-3-methyl-4-[4-(5-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 391.50 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[4-(5-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118890530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).