6-cyclobutyl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C24H29N7O3 — CID 170775912

IUPAC6-cyclobutyl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cc(-n2cnc(Nc3nc(C4CCC4)nc4c3cnn4C(C)C)c2)cc(OC)c1OC
InChIInChI=1S/C24H29N7O3/c1-14(2)31-24-17(11-26-31)23(28-22(29-24)15-7-6-8-15)27-20-12-30(13-25-20)16-9-18(32-3)21(34-5)19(10-16)33-4/h9-15H,6-8H2,1-5H3,(H,27,28,29)
InChIKeyFTJKVXSCGPXSJG-UHFFFAOYSA-N
MW463.54 g/mol
LogP4.63
Rot. Bonds8

About 6-cyclobutyl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine

6-cyclobutyl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 170775912) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 6-cyclobutyl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclobutyl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID170775912
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name6-cyclobutyl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cc(-n2cnc(Nc3nc(C4CCC4)nc4c3cnn4C(C)C)c2)cc(OC)c1OC
InChIInChI=1S/C24H29N7O3/c1-14(2)31-24-17(11-26-31)23(28-22(29-24)15-7-6-8-15)27-20-12-30(13-25-20)16-9-18(32-3)21(34-5)19(10-16)33-4/h9-15H,6-8H2,1-5H3,(H,27,28,29)
InChIKeyFTJKVXSCGPXSJG-UHFFFAOYSA-N
XLogP4.63
TPSA101.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

6-(1-methylpyrrolidin-3-yl)-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775796
6-butan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775866
6-pentan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775932
1-[(2R)-butan-2-yl]-6-prop-1-en-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775706
1-cyclopropyl-6-(cyclopropylmethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775729
1-ethyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775935
1-phenyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775795
[1-[7-propan-2-yloxy-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidin-2-yl]methanol
CID 137363638
2-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[3,2-d]pyrimidin-4-amine;hydrochloride
CID 170775798
2-[2-chloro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]thieno[2,3-d]pyrimidin-6-yl]-1-methylpiperidin-4-ol
CID 154629993
[(2R)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 142498501
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazoline-7-carbonitrile
CID 137363652

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-cyclobutyl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 170775912) is 6-cyclobutyl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclobutyl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-cyclobutyl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine is COc1cc(-n2cnc(Nc3nc(C4CCC4)nc4c3cnn4C(C)C)c2)cc(OC)c1OC.
What is the InChIKey of 6-cyclobutyl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FTJKVXSCGPXSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-14(2)31-24-17(11-26-31)23(28-22(29-24)15-7-6-8-15)27-20-12-30(13-25-20)16-9-18(32-3)21(34-5)19(10-16)33-4/h9-15H,6-8H2,1-5H3,(H,27,28,29).
What are the key properties of 6-cyclobutyl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
6-cyclobutyl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 463.54 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 170775912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).