N-(4-chlorophenyl)-6-[1-[3-(dimethylamino)propyl]-3-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine

C27H32ClN7O — CID 121272239

IUPACN-(4-chlorophenyl)-6-[1-[3-(dimethylamino)propyl]-3-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1nn(CCCN(C)C)c2cc(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)ccc12
InChIInChI=1S/C27H32ClN7O/c1-19-23-10-5-20(17-25(23)35(32-19)12-4-11-33(2)3)24-18-26(29-22-8-6-21(28)7-9-22)31-27(30-24)34-13-15-36-16-14-34/h5-10,17-18H,4,11-16H2,1-3H3,(H,29,30,31)
InChIKeyZKLHCYIGYPPOGQ-UHFFFAOYSA-N
MW506.05 g/mol
LogP4.99
Rot. Bonds8

About N-(4-chlorophenyl)-6-[1-[3-(dimethylamino)propyl]-3-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine

N-(4-chlorophenyl)-6-[1-[3-(dimethylamino)propyl]-3-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 121272239) has the molecular formula C27H32ClN7O and a molecular weight of 506.05 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-[1-[3-(dimethylamino)propyl]-3-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-[1-[3-(dimethylamino)propyl]-3-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID121272239
Molecular FormulaC27H32ClN7O
Molecular Weight506.05 g/mol
Exact Mass505.24
IUPAC NameN-(4-chlorophenyl)-6-[1-[3-(dimethylamino)propyl]-3-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1nn(CCCN(C)C)c2cc(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)ccc12
InChIInChI=1S/C27H32ClN7O/c1-19-23-10-5-20(17-25(23)35(32-19)12-4-11-33(2)3)24-18-26(29-22-8-6-21(28)7-9-22)31-27(30-24)34-13-15-36-16-14-34/h5-10,17-18H,4,11-16H2,1-3H3,(H,29,30,31)
InChIKeyZKLHCYIGYPPOGQ-UHFFFAOYSA-N
XLogP4.99
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.05
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[6-[3-[3-(dimethylamino)propyl]benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylbenzamide
CID 121272490
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-(4-chlorophenyl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine
CID 121272441
6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-yl-N-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenyl]pyrimidin-4-amine
CID 121275812
4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine
CID 121275852
methyl 4-[[6-[3-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate
CID 138656789
6-(3-amino-4-methanimidoylphenyl)-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 145062178
N-[6-[3-(2-aminoethyl)-1-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine
CID 121272192
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
N-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936399
N-ethyl-4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide
CID 121275797

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-[1-[3-(dimethylamino)propyl]-3-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-6-[1-[3-(dimethylamino)propyl]-3-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine (CID 121272239) is N-(4-chlorophenyl)-6-[1-[3-(dimethylamino)propyl]-3-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-6-[1-[3-(dimethylamino)propyl]-3-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-6-[1-[3-(dimethylamino)propyl]-3-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine is Cc1nn(CCCN(C)C)c2cc(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)ccc12.
What is the InChIKey of N-(4-chlorophenyl)-6-[1-[3-(dimethylamino)propyl]-3-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is ZKLHCYIGYPPOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN7O/c1-19-23-10-5-20(17-25(23)35(32-19)12-4-11-33(2)3)24-18-26(29-22-8-6-21(28)7-9-22)31-27(30-24)34-13-15-36-16-14-34/h5-10,17-18H,4,11-16H2,1-3H3,(H,29,30,31).
What are the key properties of N-(4-chlorophenyl)-6-[1-[3-(dimethylamino)propyl]-3-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine?
N-(4-chlorophenyl)-6-[1-[3-(dimethylamino)propyl]-3-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 506.05 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-[1-[3-(dimethylamino)propyl]-3-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 121272239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).