[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-(3-pyrazol-1-ylpropyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol

C19H27N9O — CID 138382881

IUPAC[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-(3-pyrazol-1-ylpropyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol
SMILESCn1ncc2c(N)nc(N3CC4CN(CCCn5cccn5)CC4(CO)C3)nc21
InChIInChI=1S/C19H27N9O/c1-25-17-15(8-22-25)16(20)23-18(24-17)27-10-14-9-26(11-19(14,12-27)13-29)5-3-7-28-6-2-4-21-28/h2,4,6,8,14,29H,3,5,7,9-13H2,1H3,(H2,20,23,24)
InChIKeyFJIWXVCJYIGMEC-UHFFFAOYSA-N
MW397.49 g/mol
LogP-0.04
Rot. Bonds6

About [5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-(3-pyrazol-1-ylpropyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol

[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-(3-pyrazol-1-ylpropyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol (PubChem CID 138382881) has the molecular formula C19H27N9O and a molecular weight of 397.49 g/mol. Its IUPAC name is [5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-(3-pyrazol-1-ylpropyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol.

Molecular Properties

Compound Name[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-(3-pyrazol-1-ylpropyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol
PubChem CID138382881
Molecular FormulaC19H27N9O
Molecular Weight397.49 g/mol
Exact Mass397.23
IUPAC Name[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-(3-pyrazol-1-ylpropyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol
SMILESCn1ncc2c(N)nc(N3CC4CN(CCCn5cccn5)CC4(CO)C3)nc21
InChIInChI=1S/C19H27N9O/c1-25-17-15(8-22-25)16(20)23-18(24-17)27-10-14-9-26(11-19(14,12-27)13-29)5-3-7-28-6-2-4-21-28/h2,4,6,8,14,29H,3,5,7,9-13H2,1H3,(H2,20,23,24)
InChIKeyFJIWXVCJYIGMEC-UHFFFAOYSA-N
XLogP-0.04
TPSA114.15 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-(3-pyrazol-1-ylpropyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-(3-pyrazol-1-ylpropyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The IUPAC name of [5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-(3-pyrazol-1-ylpropyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol (CID 138382881) is [5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-(3-pyrazol-1-ylpropyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol.
What is the SMILES notation for [5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-(3-pyrazol-1-ylpropyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The canonical SMILES for [5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-(3-pyrazol-1-ylpropyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol is Cn1ncc2c(N)nc(N3CC4CN(CCCn5cccn5)CC4(CO)C3)nc21.
What is the InChIKey of [5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-(3-pyrazol-1-ylpropyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The InChIKey is FJIWXVCJYIGMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N9O/c1-25-17-15(8-22-25)16(20)23-18(24-17)27-10-14-9-26(11-19(14,12-27)13-29)5-3-7-28-6-2-4-21-28/h2,4,6,8,14,29H,3,5,7,9-13H2,1H3,(H2,20,23,24).
What are the key properties of [5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-(3-pyrazol-1-ylpropyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?
[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-(3-pyrazol-1-ylpropyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol has a molecular weight of 397.49 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-(3-pyrazol-1-ylpropyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol is sourced from PubChem (CID 138382881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).