N-[6-[3-(2-aminoethyl)-1-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine

C27H30N8O — CID 121272192

IUPACN-[6-[3-(2-aminoethyl)-1-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine
SMILESCn1ccc2ccc(Nc3cc(-c4ccc5c(CCN)nn(C)c5c4)nc(N4CCOCC4)n3)cc21
InChIInChI=1S/C27H30N8O/c1-33-10-8-18-3-5-20(16-24(18)33)29-26-17-23(30-27(31-26)35-11-13-36-14-12-35)19-4-6-21-22(7-9-28)32-34(2)25(21)15-19/h3-6,8,10,15-17H,7,9,11-14,28H2,1-2H3,(H,29,30,31)
InChIKeyJIAMOTPBIBSNJD-UHFFFAOYSA-N
MW482.59 g/mol
LogP3.60
Rot. Bonds6

About N-[6-[3-(2-aminoethyl)-1-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine

N-[6-[3-(2-aminoethyl)-1-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine (PubChem CID 121272192) has the molecular formula C27H30N8O and a molecular weight of 482.59 g/mol. Its IUPAC name is N-[6-[3-(2-aminoethyl)-1-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine.

Molecular Properties

Compound NameN-[6-[3-(2-aminoethyl)-1-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine
PubChem CID121272192
Molecular FormulaC27H30N8O
Molecular Weight482.59 g/mol
Exact Mass482.25
IUPAC NameN-[6-[3-(2-aminoethyl)-1-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine
SMILESCn1ccc2ccc(Nc3cc(-c4ccc5c(CCN)nn(C)c5c4)nc(N4CCOCC4)n3)cc21
InChIInChI=1S/C27H30N8O/c1-33-10-8-18-3-5-20(16-24(18)33)29-26-17-23(30-27(31-26)35-11-13-36-14-12-35)19-4-6-21-22(7-9-28)32-34(2)25(21)15-19/h3-6,8,10,15-17H,7,9,11-14,28H2,1-2H3,(H,29,30,31)
InChIKeyJIAMOTPBIBSNJD-UHFFFAOYSA-N
XLogP3.60
TPSA99.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-methyl-N-[6-(1-methyl-3-pentylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine
CID 146922635
1-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]butan-1-one
CID 159215910
6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-yl-N-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenyl]pyrimidin-4-amine
CID 121275812
N-(4-chlorophenyl)-6-[1-[3-(dimethylamino)propyl]-3-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 121272239
6-(1,3-dimethylindazol-6-yl)-N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]phenyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 121272396
N-ethyl-4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide
CID 121275797
3-methyl-1-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]butan-1-one
CID 160707838
6-(1-methylindazol-6-yl)-2-morpholin-4-yl-N-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrimidin-4-amine
CID 121272367
4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine
CID 121275852
N-(4-chlorophenyl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine
CID 121272441
methyl 5-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate
CID 121276017
tert-butyl 2-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]pyrrole-1-carboxylate
CID 121272392

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(2-aminoethyl)-1-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine?
The IUPAC name of N-[6-[3-(2-aminoethyl)-1-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine (CID 121272192) is N-[6-[3-(2-aminoethyl)-1-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine.
What is the SMILES notation for N-[6-[3-(2-aminoethyl)-1-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine?
The canonical SMILES for N-[6-[3-(2-aminoethyl)-1-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine is Cn1ccc2ccc(Nc3cc(-c4ccc5c(CCN)nn(C)c5c4)nc(N4CCOCC4)n3)cc21.
What is the InChIKey of N-[6-[3-(2-aminoethyl)-1-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine?
The InChIKey is JIAMOTPBIBSNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O/c1-33-10-8-18-3-5-20(16-24(18)33)29-26-17-23(30-27(31-26)35-11-13-36-14-12-35)19-4-6-21-22(7-9-28)32-34(2)25(21)15-19/h3-6,8,10,15-17H,7,9,11-14,28H2,1-2H3,(H,29,30,31).
What are the key properties of N-[6-[3-(2-aminoethyl)-1-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine?
N-[6-[3-(2-aminoethyl)-1-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine has a molecular weight of 482.59 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(2-aminoethyl)-1-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine is sourced from PubChem (CID 121272192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).