2-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide

C19H20N8O — CID 166186833

IUPAC2-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide
SMILESCn1cc(CC(CNc2ncnc3c2cnn3-c2ccccc2)C(N)=O)cn1
InChIInChI=1S/C19H20N8O/c1-26-11-13(8-24-26)7-14(17(20)28)9-21-18-16-10-25-27(19(16)23-12-22-18)15-5-3-2-4-6-15/h2-6,8,10-12,14H,7,9H2,1H3,(H2,20,28)(H,21,22,23)
InChIKeyWQWPQSLGZBRBCZ-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.31
Rot. Bonds7

About 2-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide

2-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide (PubChem CID 166186833) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide
PubChem CID166186833
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name2-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide
SMILESCn1cc(CC(CNc2ncnc3c2cnn3-c2ccccc2)C(N)=O)cn1
InChIInChI=1S/C19H20N8O/c1-26-11-13(8-24-26)7-14(17(20)28)9-21-18-16-10-25-27(19(16)23-12-22-18)15-5-3-2-4-6-15/h2-6,8,10-12,14H,7,9H2,1H3,(H2,20,28)(H,21,22,23)
InChIKeyWQWPQSLGZBRBCZ-UHFFFAOYSA-N
XLogP1.31
TPSA116.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(1-methylpyrazol-4-yl)methyl]-3-[(8-methylquinazolin-4-yl)amino]propanamide;hydrochloride
CID 167951649
2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43235572
propan-2-yl 2-methyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoate
CID 133325485
N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43215057
1-cyclopentyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 133306905
N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228
2-[[(5-cyano-2-pyridinyl)amino]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 71908160
1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 57196440
(2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid
CID 122050233
dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium
CID 6953713
(2R)-1-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol
CID 7205599
2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730689

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide (CID 166186833) is 2-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide is Cn1cc(CC(CNc2ncnc3c2cnn3-c2ccccc2)C(N)=O)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide?
The InChIKey is WQWPQSLGZBRBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O/c1-26-11-13(8-24-26)7-14(17(20)28)9-21-18-16-10-25-27(19(16)23-12-22-18)15-5-3-2-4-6-15/h2-6,8,10-12,14H,7,9H2,1H3,(H2,20,28)(H,21,22,23).
What are the key properties of 2-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide?
2-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide has a molecular weight of 376.42 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 166186833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).