6-ethyl-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C19H21N7 — CID 95730110

IUPAC6-ethyl-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nc(N[C@H](Cn2ccnc2)c2ccccc2)c2cnn(C)c2n1
InChIInChI=1S/C19H21N7/c1-3-17-23-18(15-11-21-25(2)19(15)24-17)22-16(12-26-10-9-20-13-26)14-7-5-4-6-8-14/h4-11,13,16H,3,12H2,1-2H3,(H,22,23,24)/t16-/m1/s1
InChIKeyAANKJGJIMCETJU-MRXNPFEDSA-N
MW347.43 g/mol
LogP2.98
Rot. Bonds6

About 6-ethyl-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-ethyl-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 95730110) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 6-ethyl-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID95730110
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name6-ethyl-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nc(N[C@H](Cn2ccnc2)c2ccccc2)c2cnn(C)c2n1
InChIInChI=1S/C19H21N7/c1-3-17-23-18(15-11-21-25(2)19(15)24-17)22-16(12-26-10-9-20-13-26)14-7-5-4-6-8-14/h4-11,13,16H,3,12H2,1-2H3,(H,22,23,24)/t16-/m1/s1
InChIKeyAANKJGJIMCETJU-MRXNPFEDSA-N
XLogP2.98
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-ethyl-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95707471
N-ethyl-6-(imidazol-1-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220953
4-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 39805410
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97279933
6-cyclopentyl-1-methyl-N-[(1S)-1-pyridin-3-ylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95872463
3-(4-methylphenyl)-3-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
CID 56906863
N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95888823
(1S)-N-(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 95728731
5-[(R)-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-phenylmethyl]-1,3,4-thiadiazol-2-amine
CID 95720339
5-[(S)-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-phenylmethyl]-1,3,4-thiadiazol-2-amine
CID 95720338
6-chloro-N-(3-imidazol-1-ylpropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82460088
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-5-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 26406732

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 95730110) is 6-ethyl-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCc1nc(N[C@H](Cn2ccnc2)c2ccccc2)c2cnn(C)c2n1.
What is the InChIKey of 6-ethyl-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is AANKJGJIMCETJU-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N7/c1-3-17-23-18(15-11-21-25(2)19(15)24-17)22-16(12-26-10-9-20-13-26)14-7-5-4-6-8-14/h4-11,13,16H,3,12H2,1-2H3,(H,22,23,24)/t16-/m1/s1.
What are the key properties of 6-ethyl-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-ethyl-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 347.43 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95730110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).