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

C24H29N7O3 — CID 170775706

IUPAC1-[(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
SMILESC=C(C)c1nc(Nc2cn(-c3cc(OC)c(OC)c(OC)c3)cn2)c2cnn([C@H](C)CC)c2n1
InChIInChI=1S/C24H29N7O3/c1-8-15(4)31-24-17(11-26-31)23(28-22(29-24)14(2)3)27-20-12-30(13-25-20)16-9-18(32-5)21(34-7)19(10-16)33-6/h9-13,15H,2,8H2,1,3-7H3,(H,27,28,29)/t15-/m1/s1
InChIKeyFKAFGPCNHFOOAG-OAHLLOKOSA-N
MW463.54 g/mol
LogP4.79
Rot. Bonds9

About 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

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 (PubChem CID 170775706) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID170775706
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name1-[(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
SMILESC=C(C)c1nc(Nc2cn(-c3cc(OC)c(OC)c(OC)c3)cn2)c2cnn([C@H](C)CC)c2n1
InChIInChI=1S/C24H29N7O3/c1-8-15(4)31-24-17(11-26-31)23(28-22(29-24)14(2)3)27-20-12-30(13-25-20)16-9-18(32-5)21(34-7)19(10-16)33-6/h9-13,15H,2,8H2,1,3-7H3,(H,27,28,29)/t15-/m1/s1
InChIKeyFKAFGPCNHFOOAG-OAHLLOKOSA-N
XLogP4.79
TPSA101.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(C)c1nc(Nc2cn(-c3cc(OC)c(OC)c(OC)c3)cn2)c2cnn([C@H](C)CC)c2n1.
What is the InChIKey of 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?
The InChIKey is FKAFGPCNHFOOAG-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-8-15(4)31-24-17(11-26-31)23(28-22(29-24)14(2)3)27-20-12-30(13-25-20)16-9-18(32-5)21(34-7)19(10-16)33-6/h9-13,15H,2,8H2,1,3-7H3,(H,27,28,29)/t15-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 463.54 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170775706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).