1-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-4-chloro-3-ethylpyrazolo[5,4-d]pyrimidin-6-amine;ethane

C17H22BrClN6 — CID 143429675

IUPAC1-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-4-chloro-3-ethylpyrazolo[5,4-d]pyrimidin-6-amine;ethane
SMILESCC.CCc1nn(Cc2ncc(C)c(Br)c2C)c2nc(N)nc(Cl)c12
InChIInChI=1S/C15H16BrClN6.C2H6/c1-4-9-11-13(17)20-15(18)21-14(11)23(22-9)6-10-8(3)12(16)7(2)5-19-10;1-2/h5H,4,6H2,1-3H3,(H2,18,20,21);1-2H3
InChIKeyGWBHFGWHDLLMPV-UHFFFAOYSA-N
MW425.76 g/mol
LogP4.47
Rot. Bonds3

About 1-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-4-chloro-3-ethylpyrazolo[5,4-d]pyrimidin-6-amine;ethane

1-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-4-chloro-3-ethylpyrazolo[5,4-d]pyrimidin-6-amine;ethane (PubChem CID 143429675) has the molecular formula C17H22BrClN6 and a molecular weight of 425.76 g/mol. Its IUPAC name is 1-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-4-chloro-3-ethylpyrazolo[5,4-d]pyrimidin-6-amine;ethane.

Molecular Properties

Compound Name1-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-4-chloro-3-ethylpyrazolo[5,4-d]pyrimidin-6-amine;ethane
PubChem CID143429675
Molecular FormulaC17H22BrClN6
Molecular Weight425.76 g/mol
Exact Mass424.08
IUPAC Name1-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-4-chloro-3-ethylpyrazolo[5,4-d]pyrimidin-6-amine;ethane
SMILESCC.CCc1nn(Cc2ncc(C)c(Br)c2C)c2nc(N)nc(Cl)c12
InChIInChI=1S/C15H16BrClN6.C2H6/c1-4-9-11-13(17)20-15(18)21-14(11)23(22-9)6-10-8(3)12(16)7(2)5-19-10;1-2/h5H,4,6H2,1-3H3,(H2,18,20,21);1-2H3
InChIKeyGWBHFGWHDLLMPV-UHFFFAOYSA-N
XLogP4.47
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.76
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylpyrazolo[5,4-d]pyrimidin-6-amine
CID 143021211
4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 58762814
4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-phenylpyrazolo[5,4-d]pyrimidin-6-amine
CID 58762787
4-[2-amino-7-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]but-3-yn-1-ol
CID 11950882
tert-butyl N-[4-chloro-3-ethyl-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrazolo[5,4-d]pyrimidin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 123376485
7-bromo-3-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]triazolo[4,5-d]pyrimidin-5-amine
CID 89371795
1-[(4-bromo-3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)methyl]-4-chloro-3-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 58762821
6-bromo-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine;ethane
CID 143429632
4-chloro-5-(3-fluoropropyl)-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 88579435
9-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-6-bromopurin-2-amine
CID 163877048
4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylbutan-2-ol
CID 89173388
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-9-thia-2,3,5,7-tetrazatricyclo[6.3.1.04,12]dodeca-1,4(12),5,7-tetraen-6-amine
CID 24811284

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-4-chloro-3-ethylpyrazolo[5,4-d]pyrimidin-6-amine;ethane?
The IUPAC name of 1-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-4-chloro-3-ethylpyrazolo[5,4-d]pyrimidin-6-amine;ethane (CID 143429675) is 1-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-4-chloro-3-ethylpyrazolo[5,4-d]pyrimidin-6-amine;ethane.
What is the SMILES notation for 1-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-4-chloro-3-ethylpyrazolo[5,4-d]pyrimidin-6-amine;ethane?
The canonical SMILES for 1-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-4-chloro-3-ethylpyrazolo[5,4-d]pyrimidin-6-amine;ethane is CC.CCc1nn(Cc2ncc(C)c(Br)c2C)c2nc(N)nc(Cl)c12.
What is the InChIKey of 1-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-4-chloro-3-ethylpyrazolo[5,4-d]pyrimidin-6-amine;ethane?
The InChIKey is GWBHFGWHDLLMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN6.C2H6/c1-4-9-11-13(17)20-15(18)21-14(11)23(22-9)6-10-8(3)12(16)7(2)5-19-10;1-2/h5H,4,6H2,1-3H3,(H2,18,20,21);1-2H3.
What are the key properties of 1-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-4-chloro-3-ethylpyrazolo[5,4-d]pyrimidin-6-amine;ethane?
1-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-4-chloro-3-ethylpyrazolo[5,4-d]pyrimidin-6-amine;ethane has a molecular weight of 425.76 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-4-chloro-3-ethylpyrazolo[5,4-d]pyrimidin-6-amine;ethane is sourced from PubChem (CID 143429675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).