N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C22H21N7 — CID 133270504

IUPACN-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)[C@@H](Nc1ncnc2c1cnn2-c1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H21N7/c1-14(2)19(21-26-17-10-6-7-11-18(17)27-21)28-20-16-12-25-29(22(16)24-13-23-20)15-8-4-3-5-9-15/h3-14,19H,1-2H3,(H,26,27)(H,23,24,28)/t19-/m1/s1
InChIKeyWEJBLZOWRHJLNW-LJQANCHMSA-N
MW383.46 g/mol
LogP4.50
Rot. Bonds5

About N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 133270504) has the molecular formula C22H21N7 and a molecular weight of 383.46 g/mol. Its IUPAC name is N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID133270504
Molecular FormulaC22H21N7
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC NameN-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)[C@@H](Nc1ncnc2c1cnn2-c1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H21N7/c1-14(2)19(21-26-17-10-6-7-11-18(17)27-21)28-20-16-12-25-29(22(16)24-13-23-20)15-8-4-3-5-9-15/h3-14,19H,1-2H3,(H,26,27)(H,23,24,28)/t19-/m1/s1
InChIKeyWEJBLZOWRHJLNW-LJQANCHMSA-N
XLogP4.50
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730689
1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 57196440
3-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butane-1,3-diamine
CID 83179391
(2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid
CID 122050233
4-[4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]phenol
CID 59447546
(2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
CID 866509
(2R)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
CID 866510
N-benzhydryl-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 27557651
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133292475
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133378084
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 78888176
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 97184836

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 133270504) is N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)[C@@H](Nc1ncnc2c1cnn2-c1ccccc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WEJBLZOWRHJLNW-LJQANCHMSA-N. The full InChI is InChI=1S/C22H21N7/c1-14(2)19(21-26-17-10-6-7-11-18(17)27-21)28-20-16-12-25-29(22(16)24-13-23-20)15-8-4-3-5-9-15/h3-14,19H,1-2H3,(H,26,27)(H,23,24,28)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 383.46 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133270504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).