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

C22H23N5OS — CID 118869427

IUPAC(3R)-4-[4-(2,5-dimethylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1cc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)c(C)s1
InChIInChI=1S/C22H23N5OS/c1-13-12-28-9-8-27(13)20-11-18(17-10-14(2)29-15(17)3)16-4-6-23-22(21(16)25-20)19-5-7-24-26-19/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,24,26)/t13-/m1/s1
InChIKeySTIHYEXTSUGERB-CYBMUJFWSA-N
MW405.53 g/mol
LogP4.59
Rot. Bonds3

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

(3R)-4-[4-(2,5-dimethylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118869427) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is (3R)-4-[4-(2,5-dimethylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(2,5-dimethylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118869427
Molecular FormulaC22H23N5OS
Molecular Weight405.53 g/mol
Exact Mass405.16
IUPAC Name(3R)-4-[4-(2,5-dimethylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1cc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)c(C)s1
InChIInChI=1S/C22H23N5OS/c1-13-12-28-9-8-27(13)20-11-18(17-10-14(2)29-15(17)3)16-4-6-23-22(21(16)25-20)19-5-7-24-26-19/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,24,26)/t13-/m1/s1
InChIKeySTIHYEXTSUGERB-CYBMUJFWSA-N
XLogP4.59
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(2,5-dimethylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(2,5-dimethylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118869427) is (3R)-4-[4-(2,5-dimethylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(2,5-dimethylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(2,5-dimethylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is Cc1cc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)c(C)s1.
What is the InChIKey of (3R)-4-[4-(2,5-dimethylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is STIHYEXTSUGERB-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-13-12-28-9-8-27(13)20-11-18(17-10-14(2)29-15(17)3)16-4-6-23-22(21(16)25-20)19-5-7-24-26-19/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,24,26)/t13-/m1/s1.
What are the key properties of (3R)-4-[4-(2,5-dimethylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(2,5-dimethylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 405.53 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(2,5-dimethylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118869427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).