N-(4-chlorophenyl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine

C21H20ClN7O — CID 121272441

IUPACN-(4-chlorophenyl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine
SMILESCn1ncc2ncc(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)cc21
InChIInChI=1S/C21H20ClN7O/c1-28-19-10-14(12-23-18(19)13-24-28)17-11-20(25-16-4-2-15(22)3-5-16)27-21(26-17)29-6-8-30-9-7-29/h2-5,10-13H,6-9H2,1H3,(H,25,26,27)
InChIKeyFTONJFNTSXRLHG-UHFFFAOYSA-N
MW421.89 g/mol
LogP3.66
Rot. Bonds4

About N-(4-chlorophenyl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine

N-(4-chlorophenyl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 121272441) has the molecular formula C21H20ClN7O and a molecular weight of 421.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID121272441
Molecular FormulaC21H20ClN7O
Molecular Weight421.89 g/mol
Exact Mass421.14
IUPAC NameN-(4-chlorophenyl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine
SMILESCn1ncc2ncc(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)cc21
InChIInChI=1S/C21H20ClN7O/c1-28-19-10-14(12-23-18(19)13-24-28)17-11-20(25-16-4-2-15(22)3-5-16)27-21(26-17)29-6-8-30-9-7-29/h2-5,10-13H,6-9H2,1H3,(H,25,26,27)
InChIKeyFTONJFNTSXRLHG-UHFFFAOYSA-N
XLogP3.66
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.89
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(4-chlorophenyl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine with MolForge

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Related Compounds

1-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]butan-1-one
CID 159215910
N-ethyl-4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide
CID 121275797
methyl 4-[[6-(1-methylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate
CID 121276049
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
6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507485
6-(3-amino-4-methanimidoylphenyl)-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 145062178
N-(4-chlorophenyl)-6-[1-[3-(dimethylamino)propyl]-3-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 121272239
6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine
CID 71177854
N-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936399
tert-butyl 2-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]pyrrole-1-carboxylate
CID 121272392
N-[6-(6-amino-5-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
CID 59507749

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine (CID 121272441) is N-(4-chlorophenyl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine is Cn1ncc2ncc(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)cc21.
What is the InChIKey of N-(4-chlorophenyl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is FTONJFNTSXRLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN7O/c1-28-19-10-14(12-23-18(19)13-24-28)17-11-20(25-16-4-2-15(22)3-5-16)27-21(26-17)29-6-8-30-9-7-29/h2-5,10-13H,6-9H2,1H3,(H,25,26,27).
What are the key properties of N-(4-chlorophenyl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine?
N-(4-chlorophenyl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 421.89 g/mol, XLogP of 3.66, 4 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-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 121272441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).