4-chloro-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylpyrazolo[5,4-d]pyrimidin-6-amine

C17H21ClN6O — CID 143021211

IUPAC4-chloro-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCCCc1nn(Cc2ncc(C)c(OC)c2C)c2nc(N)nc(Cl)c12
InChIInChI=1S/C17H21ClN6O/c1-5-6-11-13-15(18)21-17(19)22-16(13)24(23-11)8-12-10(3)14(25-4)9(2)7-20-12/h7H,5-6,8H2,1-4H3,(H2,19,21,22)
InChIKeyUZUINHXVWOLADJ-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.08
Rot. Bonds5

About 4-chloro-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylpyrazolo[5,4-d]pyrimidin-6-amine

4-chloro-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylpyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 143021211) has the molecular formula C17H21ClN6O and a molecular weight of 360.85 g/mol. Its IUPAC name is 4-chloro-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylpyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-chloro-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylpyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID143021211
Molecular FormulaC17H21ClN6O
Molecular Weight360.85 g/mol
Exact Mass360.15
IUPAC Name4-chloro-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCCCc1nn(Cc2ncc(C)c(OC)c2C)c2nc(N)nc(Cl)c12
InChIInChI=1S/C17H21ClN6O/c1-5-6-11-13-15(18)21-17(19)22-16(13)24(23-11)8-12-10(3)14(25-4)9(2)7-20-12/h7H,5-6,8H2,1-4H3,(H2,19,21,22)
InChIKeyUZUINHXVWOLADJ-UHFFFAOYSA-N
XLogP3.08
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylpyrazolo[5,4-d]pyrimidin-6-amine with MolForge

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Related Compounds

1-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-4-chloro-3-ethylpyrazolo[5,4-d]pyrimidin-6-amine;ethane
CID 143429675
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
[3-but-3-enyl-4-chloro-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrazolo[5,4-d]pyrimidin-6-yl]-carboxycarbamic acid
CID 87509699
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
2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methylpurin-8-one
CID 24784386
4-chloro-5-(3-fluoropropyl)-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 88579435
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
6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine;methanesulfonic acid
CID 56843312
2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]propane-1,2,3-triol
CID 88579138
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-11-[2-(methylamino)ethyl]-9-thia-2,3,5,7-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7,11-pentaen-6-amine
CID 59311626
4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 58762814
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-11-N-methyl-9-thia-2,3,5,7-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-6,11-diamine;hydrochloride
CID 67280177

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylpyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-chloro-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylpyrazolo[5,4-d]pyrimidin-6-amine (CID 143021211) is 4-chloro-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylpyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-chloro-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylpyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-chloro-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylpyrazolo[5,4-d]pyrimidin-6-amine is CCCc1nn(Cc2ncc(C)c(OC)c2C)c2nc(N)nc(Cl)c12.
What is the InChIKey of 4-chloro-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylpyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is UZUINHXVWOLADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN6O/c1-5-6-11-13-15(18)21-17(19)22-16(13)24(23-11)8-12-10(3)14(25-4)9(2)7-20-12/h7H,5-6,8H2,1-4H3,(H2,19,21,22).
What are the key properties of 4-chloro-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylpyrazolo[5,4-d]pyrimidin-6-amine?
4-chloro-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylpyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 360.85 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylpyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 143021211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).