N-(4-chlorophenyl)-6-[1-(2-methoxyethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine

C24H25ClN6O2 — CID 121272119

IUPACN-(4-chlorophenyl)-6-[1-(2-methoxyethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOCCn1ncc2ccc(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)cc21
InChIInChI=1S/C24H25ClN6O2/c1-32-11-10-31-22-14-17(2-3-18(22)16-26-31)21-15-23(27-20-6-4-19(25)5-7-20)29-24(28-21)30-8-12-33-13-9-30/h2-7,14-16H,8-13H2,1H3,(H,27,28,29)
InChIKeyIUTUNEIMWMDXAP-UHFFFAOYSA-N
MW464.96 g/mol
LogP4.37
Rot. Bonds7

About N-(4-chlorophenyl)-6-[1-(2-methoxyethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine

N-(4-chlorophenyl)-6-[1-(2-methoxyethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 121272119) has the molecular formula C24H25ClN6O2 and a molecular weight of 464.96 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-[1-(2-methoxyethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-[1-(2-methoxyethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID121272119
Molecular FormulaC24H25ClN6O2
Molecular Weight464.96 g/mol
Exact Mass464.17
IUPAC NameN-(4-chlorophenyl)-6-[1-(2-methoxyethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOCCn1ncc2ccc(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)cc21
InChIInChI=1S/C24H25ClN6O2/c1-32-11-10-31-22-14-17(2-3-18(22)16-26-31)21-15-23(27-20-6-4-19(25)5-7-20)29-24(28-21)30-8-12-33-13-9-30/h2-7,14-16H,8-13H2,1H3,(H,27,28,29)
InChIKeyIUTUNEIMWMDXAP-UHFFFAOYSA-N
XLogP4.37
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Pyrazolo[1,5-b]pyridazine deriv. 61
CID 6539403
Pyrazolo[1,5-b]pyridazine deriv. 90
CID 6539432
6-chloro-7-[1-(3-methyloxetan-3-yl)piperidin-4-yl]-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]quinazolin-2-amine
CID 156304966
6-chloro-N-(1-cyclopropyl-5-methylpyrazol-4-yl)-7-[(2S)-2-methyl-1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-amine
CID 156305037
Pyrazolo pyrimidine, 5q
CID 44520821
N4-(9-ethyl-9H-carbazol-3-yl)-N2-(3-morpholin-4-ylpropyl)-pyrimidine-2,4-diamine
CID 51031035
6-chloro-N-(1-cyclopropyl-5-methylpyrazol-4-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-amine
CID 166632036
4-[5-Tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 1851774
3-(2-Chlorophenyl)-5-methyl-7-(morpholin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 4910004
4-[1-(4-Chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-2,6-dimethylmorpholine
CID 2940041
N-butyl-4-[2-(4-fluorophenyl)-7-morpholino-pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
CID 5275713
4-[5-chloro-2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
CID 10141356

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-[1-(2-methoxyethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-6-[1-(2-methoxyethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine (CID 121272119) is N-(4-chlorophenyl)-6-[1-(2-methoxyethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-6-[1-(2-methoxyethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-6-[1-(2-methoxyethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine is COCCn1ncc2ccc(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)cc21.
What is the InChIKey of N-(4-chlorophenyl)-6-[1-(2-methoxyethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is IUTUNEIMWMDXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O2/c1-32-11-10-31-22-14-17(2-3-18(22)16-26-31)21-15-23(27-20-6-4-19(25)5-7-20)29-24(28-21)30-8-12-33-13-9-30/h2-7,14-16H,8-13H2,1H3,(H,27,28,29).
What are the key properties of N-(4-chlorophenyl)-6-[1-(2-methoxyethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine?
N-(4-chlorophenyl)-6-[1-(2-methoxyethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 464.96 g/mol, XLogP of 4.37, 7 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-(2-methoxyethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 121272119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).