1-methyl-6-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C16H23N7 — CID 56913154

IUPAC1-methyl-6-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCn1cc(CNc2nc(C(C)C)nc3c2cnn3C)cn1
InChIInChI=1S/C16H23N7/c1-5-6-23-10-12(8-19-23)7-17-15-13-9-18-22(4)16(13)21-14(20-15)11(2)3/h8-11H,5-7H2,1-4H3,(H,17,20,21)
InChIKeyXGDMXUNNOCRGKP-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.71
Rot. Bonds6

About 1-methyl-6-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-6-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56913154) has the molecular formula C16H23N7 and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-methyl-6-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-6-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56913154
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC Name1-methyl-6-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCn1cc(CNc2nc(C(C)C)nc3c2cnn3C)cn1
InChIInChI=1S/C16H23N7/c1-5-6-23-10-12(8-19-23)7-17-15-13-9-18-22(4)16(13)21-14(20-15)11(2)3/h8-11H,5-7H2,1-4H3,(H,17,20,21)
InChIKeyXGDMXUNNOCRGKP-UHFFFAOYSA-N
XLogP2.71
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-6-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

1-methyl-N-[(2S)-2-piperidin-1-ylbutyl]-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95725455
1-methyl-6-propan-2-yl-N-(3-pyridin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56890560
1-(2-fluoroethyl)-4-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 122166940
1-methyl-6-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56912182
1,4-dimethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride
CID 126964967
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propylpyrrolidin-2-one
CID 56902346
2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 115702920
2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
CID 115632221
N-[(1-propylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
CID 103571505
N-ethyl-5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 80977824
3-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
CID 115632424

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-6-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 56913154) is 1-methyl-6-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-6-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-6-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is CCCn1cc(CNc2nc(C(C)C)nc3c2cnn3C)cn1.
What is the InChIKey of 1-methyl-6-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XGDMXUNNOCRGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7/c1-5-6-23-10-12(8-19-23)7-17-15-13-9-18-22(4)16(13)21-14(20-15)11(2)3/h8-11H,5-7H2,1-4H3,(H,17,20,21).
What are the key properties of 1-methyl-6-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-6-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 313.41 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56913154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).