1-cyclopropyl-6-(cyclopropylmethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C24H27N7O3 — CID 170775729

IUPAC1-cyclopropyl-6-(cyclopropylmethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cc(-n2cnc(Nc3nc(CC4CC4)nc4c3cnn4C3CC3)c2)cc(OC)c1OC
InChIInChI=1S/C24H27N7O3/c1-32-18-9-16(10-19(33-2)22(18)34-3)30-12-21(25-13-30)28-23-17-11-26-31(15-6-7-15)24(17)29-20(27-23)8-14-4-5-14/h9-15H,4-8H2,1-3H3,(H,27,28,29)
InChIKeyAFVWAJPHYGHJNJ-UHFFFAOYSA-N
MW461.53 g/mol
LogP4.07
Rot. Bonds9

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

1-cyclopropyl-6-(cyclopropylmethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 170775729) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is 1-cyclopropyl-6-(cyclopropylmethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-cyclopropyl-6-(cyclopropylmethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID170775729
Molecular FormulaC24H27N7O3
Molecular Weight461.53 g/mol
Exact Mass461.22
IUPAC Name1-cyclopropyl-6-(cyclopropylmethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cc(-n2cnc(Nc3nc(CC4CC4)nc4c3cnn4C3CC3)c2)cc(OC)c1OC
InChIInChI=1S/C24H27N7O3/c1-32-18-9-16(10-19(33-2)22(18)34-3)30-12-21(25-13-30)28-23-17-11-26-31(15-6-7-15)24(17)29-20(27-23)8-14-4-5-14/h9-15H,4-8H2,1-3H3,(H,27,28,29)
InChIKeyAFVWAJPHYGHJNJ-UHFFFAOYSA-N
XLogP4.07
TPSA101.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-(cyclopropylmethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-cyclopropyl-6-(cyclopropylmethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 170775729) is 1-cyclopropyl-6-(cyclopropylmethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-cyclopropyl-6-(cyclopropylmethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-cyclopropyl-6-(cyclopropylmethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine is COc1cc(-n2cnc(Nc3nc(CC4CC4)nc4c3cnn4C3CC3)c2)cc(OC)c1OC.
What is the InChIKey of 1-cyclopropyl-6-(cyclopropylmethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is AFVWAJPHYGHJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-32-18-9-16(10-19(33-2)22(18)34-3)30-12-21(25-13-30)28-23-17-11-26-31(15-6-7-15)24(17)29-20(27-23)8-14-4-5-14/h9-15H,4-8H2,1-3H3,(H,27,28,29).
What are the key properties of 1-cyclopropyl-6-(cyclopropylmethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-cyclopropyl-6-(cyclopropylmethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 461.53 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-(cyclopropylmethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 170775729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).