3-methyl-4-[4-(4-methyl-6-methylsulfonyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C23H24N6O3S — CID 134446335

IUPAC3-methyl-4-[4-(4-methyl-6-methylsulfonyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1cc(S(C)(=O)=O)ncc1-c1cc(N2CCOCC2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C23H24N6O3S/c1-14-10-21(33(3,30)31)25-12-18(14)17-11-20(29-8-9-32-13-15(29)2)27-22-16(17)4-6-24-23(22)19-5-7-26-28-19/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,26,28)
InChIKeyPQZRQQJFBGSJAY-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.02
Rot. Bonds4

About 3-methyl-4-[4-(4-methyl-6-methylsulfonyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

3-methyl-4-[4-(4-methyl-6-methylsulfonyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 134446335) has the molecular formula C23H24N6O3S and a molecular weight of 464.55 g/mol. Its IUPAC name is 3-methyl-4-[4-(4-methyl-6-methylsulfonyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name3-methyl-4-[4-(4-methyl-6-methylsulfonyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID134446335
Molecular FormulaC23H24N6O3S
Molecular Weight464.55 g/mol
Exact Mass464.16
IUPAC Name3-methyl-4-[4-(4-methyl-6-methylsulfonyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1cc(S(C)(=O)=O)ncc1-c1cc(N2CCOCC2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C23H24N6O3S/c1-14-10-21(33(3,30)31)25-12-18(14)17-11-20(29-8-9-32-13-15(29)2)27-22-16(17)4-6-24-23(22)19-5-7-26-28-19/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,26,28)
InChIKeyPQZRQQJFBGSJAY-UHFFFAOYSA-N
XLogP3.02
TPSA113.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[4-(4-methyl-6-methylsulfonyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 3-methyl-4-[4-(4-methyl-6-methylsulfonyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 134446335) is 3-methyl-4-[4-(4-methyl-6-methylsulfonyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 3-methyl-4-[4-(4-methyl-6-methylsulfonyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 3-methyl-4-[4-(4-methyl-6-methylsulfonyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is Cc1cc(S(C)(=O)=O)ncc1-c1cc(N2CCOCC2C)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of 3-methyl-4-[4-(4-methyl-6-methylsulfonyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is PQZRQQJFBGSJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S/c1-14-10-21(33(3,30)31)25-12-18(14)17-11-20(29-8-9-32-13-15(29)2)27-22-16(17)4-6-24-23(22)19-5-7-26-28-19/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,26,28).
What are the key properties of 3-methyl-4-[4-(4-methyl-6-methylsulfonyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
3-methyl-4-[4-(4-methyl-6-methylsulfonyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 464.55 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[4-(4-methyl-6-methylsulfonyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 134446335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).