N-(4-chloro-5-methoxy-6-morpholin-4-ylpyrimidin-2-yl)-1H-indazol-3-amine

C16H17ClN6O2 — CID 166129433

IUPACN-(4-chloro-5-methoxy-6-morpholin-4-ylpyrimidin-2-yl)-1H-indazol-3-amine
SMILESCOc1c(Cl)nc(Nc2n[nH]c3ccccc23)nc1N1CCOCC1
InChIInChI=1S/C16H17ClN6O2/c1-24-12-13(17)18-16(20-15(12)23-6-8-25-9-7-23)19-14-10-4-2-3-5-11(10)21-22-14/h2-5H,6-9H2,1H3,(H2,18,19,20,21,22)
InChIKeyLYUDFUXUHWHLMU-UHFFFAOYSA-N
MW360.81 g/mol
LogP2.60
Rot. Bonds4

About N-(4-chloro-5-methoxy-6-morpholin-4-ylpyrimidin-2-yl)-1H-indazol-3-amine

N-(4-chloro-5-methoxy-6-morpholin-4-ylpyrimidin-2-yl)-1H-indazol-3-amine (PubChem CID 166129433) has the molecular formula C16H17ClN6O2 and a molecular weight of 360.81 g/mol. Its IUPAC name is N-(4-chloro-5-methoxy-6-morpholin-4-ylpyrimidin-2-yl)-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(4-chloro-5-methoxy-6-morpholin-4-ylpyrimidin-2-yl)-1H-indazol-3-amine
PubChem CID166129433
Molecular FormulaC16H17ClN6O2
Molecular Weight360.81 g/mol
Exact Mass360.11
IUPAC NameN-(4-chloro-5-methoxy-6-morpholin-4-ylpyrimidin-2-yl)-1H-indazol-3-amine
SMILESCOc1c(Cl)nc(Nc2n[nH]c3ccccc23)nc1N1CCOCC1
InChIInChI=1S/C16H17ClN6O2/c1-24-12-13(17)18-16(20-15(12)23-6-8-25-9-7-23)19-14-10-4-2-3-5-11(10)21-22-14/h2-5H,6-9H2,1H3,(H2,18,19,20,21,22)
InChIKeyLYUDFUXUHWHLMU-UHFFFAOYSA-N
XLogP2.60
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.81
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128780
4-(7-chloro-4-methoxy-1H-pyrazolo[5,4-c]pyridin-5-yl)morpholine
CID 164917307
N-[5-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine
CID 166128462
N-[4-(2-chloro-4-ethylphenyl)-6-piperidin-1-ylpyrimidin-2-yl]-1H-indazol-3-amine
CID 21062572
N-[4-(2-iodo-4-methoxyphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-1H-indazol-3-amine
CID 70839643
N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-2H-pyrimidin-1-id-4-yl]-1H-indazol-3-amine
CID 142127978
N-[5-methyl-4-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-6-yl]-1H-indazol-3-amine
CID 142127979
N-(2,5-dimethoxyphenyl)-4-morpholin-4-ylquinazolin-2-amine;hydrochloride
CID 2975510
N-(1H-indazol-3-yl)morpholine-4-sulfonamide
CID 62686039
N-(3-methoxy-6-methylpyrazin-2-yl)-1H-indazol-3-amine
CID 166129287
4-[6-chloro-5-methoxy-2-(2-methoxyethyl)pyrimidin-4-yl]morpholine
CID 170520811
N-(4-methoxypyridazin-3-yl)-1H-indazol-3-amine
CID 166129517

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-5-methoxy-6-morpholin-4-ylpyrimidin-2-yl)-1H-indazol-3-amine?
The IUPAC name of N-(4-chloro-5-methoxy-6-morpholin-4-ylpyrimidin-2-yl)-1H-indazol-3-amine (CID 166129433) is N-(4-chloro-5-methoxy-6-morpholin-4-ylpyrimidin-2-yl)-1H-indazol-3-amine.
What is the SMILES notation for N-(4-chloro-5-methoxy-6-morpholin-4-ylpyrimidin-2-yl)-1H-indazol-3-amine?
The canonical SMILES for N-(4-chloro-5-methoxy-6-morpholin-4-ylpyrimidin-2-yl)-1H-indazol-3-amine is COc1c(Cl)nc(Nc2n[nH]c3ccccc23)nc1N1CCOCC1.
What is the InChIKey of N-(4-chloro-5-methoxy-6-morpholin-4-ylpyrimidin-2-yl)-1H-indazol-3-amine?
The InChIKey is LYUDFUXUHWHLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O2/c1-24-12-13(17)18-16(20-15(12)23-6-8-25-9-7-23)19-14-10-4-2-3-5-11(10)21-22-14/h2-5H,6-9H2,1H3,(H2,18,19,20,21,22).
What are the key properties of N-(4-chloro-5-methoxy-6-morpholin-4-ylpyrimidin-2-yl)-1H-indazol-3-amine?
N-(4-chloro-5-methoxy-6-morpholin-4-ylpyrimidin-2-yl)-1H-indazol-3-amine has a molecular weight of 360.81 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-5-methoxy-6-morpholin-4-ylpyrimidin-2-yl)-1H-indazol-3-amine is sourced from PubChem (CID 166129433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).