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

C21H27N7O3S — CID 118869234

IUPAC(3R)-3-methyl-4-[4-(4-methylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESC[C@@H]1COCCN1c1cc(N2CCN(S(C)(=O)=O)CC2)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C21H27N7O3S/c1-15-14-31-12-11-28(15)19-13-18(26-7-9-27(10-8-26)32(2,29)30)16-3-5-22-21(20(16)24-19)17-4-6-23-25-17/h3-6,13,15H,7-12,14H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyPCENXOZMURIZBY-OAHLLOKOSA-N
MW457.56 g/mol
LogP1.33
Rot. Bonds4

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

(3R)-3-methyl-4-[4-(4-methylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869234) has the molecular formula C21H27N7O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is (3R)-3-methyl-4-[4-(4-methylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[4-(4-methylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869234
Molecular FormulaC21H27N7O3S
Molecular Weight457.56 g/mol
Exact Mass457.19
IUPAC Name(3R)-3-methyl-4-[4-(4-methylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESC[C@@H]1COCCN1c1cc(N2CCN(S(C)(=O)=O)CC2)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C21H27N7O3S/c1-15-14-31-12-11-28(15)19-13-18(26-7-9-27(10-8-26)32(2,29)30)16-3-5-22-21(20(16)24-19)17-4-6-23-25-17/h3-6,13,15H,7-12,14H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyPCENXOZMURIZBY-OAHLLOKOSA-N
XLogP1.33
TPSA107.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[4-(4-methylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[4-(4-methylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869234) is (3R)-3-methyl-4-[4-(4-methylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[4-(4-methylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[4-(4-methylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is C[C@@H]1COCCN1c1cc(N2CCN(S(C)(=O)=O)CC2)c2ccnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of (3R)-3-methyl-4-[4-(4-methylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is PCENXOZMURIZBY-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H27N7O3S/c1-15-14-31-12-11-28(15)19-13-18(26-7-9-27(10-8-26)32(2,29)30)16-3-5-22-21(20(16)24-19)17-4-6-23-25-17/h3-6,13,15H,7-12,14H2,1-2H3,(H,23,25)/t15-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[4-(4-methylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
(3R)-3-methyl-4-[4-(4-methylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 457.56 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[4-(4-methylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).