(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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Related Compounds

Elimusertib
CID 118869362
Sovleplenib
CID 71113742
5-[2-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-pyrazolo[1,5-a]pyrazin-6-yl]-pyrimidin-2-ylamine
CID 67294297
(S)-1-(6-(5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)piperidin-3-amine
CID 71253342
4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 71253640
5-(5-methyl-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253796
(3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-d]pyridazin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine
CID 118720891
N-(6-(3H-imidazo[4,5-b]pyridin-6-yl)-2-morpholinopyrimidin-4-yl)quinolin-3-amine
CID 53321410
3-(2-morpholin-4-yl-4-pyridinyl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 56940771
4-[6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 57328247
7-(1-methylpyrazol-4-yl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 66556035
4-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]morpholine
CID 71253802

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).