N-[[4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide

C18H24N8O3S — CID 76806884

IUPACN-[[4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide
SMILESCC1COC(CNS(C)(=O)=O)CN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
InChIInChI=1S/C18H24N8O3S/c1-10-9-29-12(7-21-30(2,27)28)8-26(10)16-6-14(22-18(20)23-16)11-3-4-13-15(5-11)24-25-17(13)19/h3-6,10,12,21H,7-9H2,1-2H3,(H3,19,24,25)(H2,20,22,23)
InChIKeyMWFDANPXJUCPNS-UHFFFAOYSA-N
MW432.51 g/mol
LogP0.33
Rot. Bonds5

About N-[[4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide

N-[[4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide (PubChem CID 76806884) has the molecular formula C18H24N8O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-[[4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide
PubChem CID76806884
Molecular FormulaC18H24N8O3S
Molecular Weight432.51 g/mol
Exact Mass432.17
IUPAC NameN-[[4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide
SMILESCC1COC(CNS(C)(=O)=O)CN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
InChIInChI=1S/C18H24N8O3S/c1-10-9-29-12(7-21-30(2,27)28)8-26(10)16-6-14(22-18(20)23-16)11-3-4-13-15(5-11)24-25-17(13)19/h3-6,10,12,21H,7-9H2,1-2H3,(H3,19,24,25)(H2,20,22,23)
InChIKeyMWFDANPXJUCPNS-UHFFFAOYSA-N
XLogP0.33
TPSA165.14 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[[4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5R)-4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-N-cyclohexyl-5-methylmorpholine-2-carboxamide
CID 52918200
(3S,6R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-N-(cyclohexylmethyl)-6-methylpiperidine-3-carboxamide
CID 46215129
1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-phenylpiperidine-3-carboxamide
CID 90789888
(3R,6R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-phenylpiperidine-3-carboxamide
CID 51357696
(3S,6R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 58504603
(3S,6R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-N-[(4-fluorophenyl)methyl]-6-methylpiperidine-3-carboxamide
CID 58504399
6-[2-amino-6-[2-(aminomethyl)-5-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methyl-1,3-dihydroindazol-3-amine
CID 91003355
(2S)-4-[6-(3-amino-1H-indazol-6-yl)-2-(methylamino)pyrimidin-4-yl]-N-benzyl-5-methylmorpholine-2-carboxamide
CID 118273263
4-[6-(3-amino-1H-indazol-6-yl)-2-(methylamino)pyrimidin-4-yl]-N-benzyl-5-methylmorpholine-2-carboxamide
CID 90848853
[(3S,6R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-6-methylpiperidin-3-yl]-benzylcarbamic acid
CID 66991189
(3S,6R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 58504810
[(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]carbamic acid
CID 68519358

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide (CID 76806884) is N-[[4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide is CC1COC(CNS(C)(=O)=O)CN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1.
What is the InChIKey of N-[[4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide?
The InChIKey is MWFDANPXJUCPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O3S/c1-10-9-29-12(7-21-30(2,27)28)8-26(10)16-6-14(22-18(20)23-16)11-3-4-13-15(5-11)24-25-17(13)19/h3-6,10,12,21H,7-9H2,1-2H3,(H3,19,24,25)(H2,20,22,23).
What are the key properties of N-[[4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide?
N-[[4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide has a molecular weight of 432.51 g/mol, XLogP of 0.33, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 76806884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).