1-methyl-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C19H21N7 — CID 124612343

IUPAC1-methyl-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(C[C@@H](C)Nc2ncnc3c2cnn3C)n(-c2ccccc2)n1
InChIInChI=1S/C19H21N7/c1-13(23-18-17-11-22-25(3)19(17)21-12-20-18)9-16-10-14(2)24-26(16)15-7-5-4-6-8-15/h4-8,10-13H,9H2,1-3H3,(H,20,21,23)/t13-/m1/s1
InChIKeyAVUQNSCLQZZYRN-CYBMUJFWSA-N
MW347.43 g/mol
LogP2.90
Rot. Bonds5

About 1-methyl-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 124612343) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 1-methyl-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID124612343
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name1-methyl-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(C[C@@H](C)Nc2ncnc3c2cnn3C)n(-c2ccccc2)n1
InChIInChI=1S/C19H21N7/c1-13(23-18-17-11-22-25(3)19(17)21-12-20-18)9-16-10-14(2)24-26(16)15-7-5-4-6-8-15/h4-8,10-13H,9H2,1-3H3,(H,20,21,23)/t13-/m1/s1
InChIKeyAVUQNSCLQZZYRN-CYBMUJFWSA-N
XLogP2.90
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 124612343) is 1-methyl-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1cc(C[C@@H](C)Nc2ncnc3c2cnn3C)n(-c2ccccc2)n1.
What is the InChIKey of 1-methyl-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is AVUQNSCLQZZYRN-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N7/c1-13(23-18-17-11-22-25(3)19(17)21-12-20-18)9-16-10-14(2)24-26(16)15-7-5-4-6-8-15/h4-8,10-13H,9H2,1-3H3,(H,20,21,23)/t13-/m1/s1.
What are the key properties of 1-methyl-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 347.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 124612343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).