3-(7H-cyclopenta[b]pyridin-3-yl)-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C24H23N7 — CID 165064918

IUPAC3-(7H-cyclopenta[b]pyridin-3-yl)-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN1CCc2cc(Cn3nc(-c4cnc5c(c4)C=CC5)c4c(N)ncnc43)ccc2C1
InChIInChI=1S/C24H23N7/c1-30-8-7-16-9-15(5-6-18(16)13-30)12-31-24-21(23(25)27-14-28-24)22(29-31)19-10-17-3-2-4-20(17)26-11-19/h2-3,5-6,9-11,14H,4,7-8,12-13H2,1H3,(H2,25,27,28)
InChIKeyMRSPWSFROLWLPO-UHFFFAOYSA-N
MW409.50 g/mol
LogP3.08
Rot. Bonds3

About 3-(7H-cyclopenta[b]pyridin-3-yl)-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

3-(7H-cyclopenta[b]pyridin-3-yl)-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 165064918) has the molecular formula C24H23N7 and a molecular weight of 409.50 g/mol. Its IUPAC name is 3-(7H-cyclopenta[b]pyridin-3-yl)-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(7H-cyclopenta[b]pyridin-3-yl)-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID165064918
Molecular FormulaC24H23N7
Molecular Weight409.50 g/mol
Exact Mass409.20
IUPAC Name3-(7H-cyclopenta[b]pyridin-3-yl)-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN1CCc2cc(Cn3nc(-c4cnc5c(c4)C=CC5)c4c(N)ncnc43)ccc2C1
InChIInChI=1S/C24H23N7/c1-30-8-7-16-9-15(5-6-18(16)13-30)12-31-24-21(23(25)27-14-28-24)22(29-31)19-10-17-3-2-4-20(17)26-11-19/h2-3,5-6,9-11,14H,4,7-8,12-13H2,1H3,(H2,25,27,28)
InChIKeyMRSPWSFROLWLPO-UHFFFAOYSA-N
XLogP3.08
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(7H-cyclopenta[b]pyridin-3-yl)-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(7H-cyclopenta[b]pyridin-3-yl)-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 165064918) is 3-(7H-cyclopenta[b]pyridin-3-yl)-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(7H-cyclopenta[b]pyridin-3-yl)-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(7H-cyclopenta[b]pyridin-3-yl)-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is CN1CCc2cc(Cn3nc(-c4cnc5c(c4)C=CC5)c4c(N)ncnc43)ccc2C1.
What is the InChIKey of 3-(7H-cyclopenta[b]pyridin-3-yl)-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MRSPWSFROLWLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7/c1-30-8-7-16-9-15(5-6-18(16)13-30)12-31-24-21(23(25)27-14-28-24)22(29-31)19-10-17-3-2-4-20(17)26-11-19/h2-3,5-6,9-11,14H,4,7-8,12-13H2,1H3,(H2,25,27,28).
What are the key properties of 3-(7H-cyclopenta[b]pyridin-3-yl)-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
3-(7H-cyclopenta[b]pyridin-3-yl)-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 409.50 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7H-cyclopenta[b]pyridin-3-yl)-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 165064918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).