N-(3-chloro-4-methoxyphenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine

C15H14ClN5O — CID 171342403

IUPACN-(3-chloro-4-methoxyphenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3c2cnn3C2CC2)cc1Cl
InChIInChI=1S/C15H14ClN5O/c1-22-13-5-2-9(6-12(13)16)20-14-11-7-19-21(10-3-4-10)15(11)18-8-17-14/h2,5-8,10H,3-4H2,1H3,(H,17,18,20)
InChIKeyMGIMWKFPAGQBGU-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.57
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine

N-(3-chloro-4-methoxyphenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 171342403) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID171342403
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3c2cnn3C2CC2)cc1Cl
InChIInChI=1S/C15H14ClN5O/c1-22-13-5-2-9(6-12(13)16)20-14-11-7-19-21(10-3-4-10)15(11)18-8-17-14/h2,5-8,10H,3-4H2,1H3,(H,17,18,20)
InChIKeyMGIMWKFPAGQBGU-UHFFFAOYSA-N
XLogP3.57
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-chloro-4-methoxyphenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine (CID 171342403) is N-(3-chloro-4-methoxyphenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(Nc2ncnc3c2cnn3C2CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MGIMWKFPAGQBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c1-22-13-5-2-9(6-12(13)16)20-14-11-7-19-21(10-3-4-10)15(11)18-8-17-14/h2,5-8,10H,3-4H2,1H3,(H,17,18,20).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(3-chloro-4-methoxyphenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 315.76 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 171342403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).