5-(1-methylpyrazol-4-yl)-3-(2-piperidin-1-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine

C19H28N8 — CID 78054671

IUPAC5-(1-methylpyrazol-4-yl)-3-(2-piperidin-1-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
SMILESCn1cc(C2CC3C(CN2)NNC3c2ccnc(N3CCCCC3)n2)cn1
InChIInChI=1S/C19H28N8/c1-26-12-13(10-22-26)16-9-14-17(11-21-16)24-25-18(14)15-5-6-20-19(23-15)27-7-3-2-4-8-27/h5-6,10,12,14,16-18,21,24-25H,2-4,7-9,11H2,1H3
InChIKeySWIOPXOADPLQDW-UHFFFAOYSA-N
MW368.49 g/mol
LogP1.07
Rot. Bonds3

About 5-(1-methylpyrazol-4-yl)-3-(2-piperidin-1-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine

5-(1-methylpyrazol-4-yl)-3-(2-piperidin-1-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine (PubChem CID 78054671) has the molecular formula C19H28N8 and a molecular weight of 368.49 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-3-(2-piperidin-1-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-3-(2-piperidin-1-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
PubChem CID78054671
Molecular FormulaC19H28N8
Molecular Weight368.49 g/mol
Exact Mass368.24
IUPAC Name5-(1-methylpyrazol-4-yl)-3-(2-piperidin-1-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
SMILESCn1cc(C2CC3C(CN2)NNC3c2ccnc(N3CCCCC3)n2)cn1
InChIInChI=1S/C19H28N8/c1-26-12-13(10-22-26)16-9-14-17(11-21-16)24-25-18(14)15-5-6-20-19(23-15)27-7-3-2-4-8-27/h5-6,10,12,14,16-18,21,24-25H,2-4,7-9,11H2,1H3
InChIKeySWIOPXOADPLQDW-UHFFFAOYSA-N
XLogP1.07
TPSA82.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-(1-methylpyrazol-4-yl)-3-(2-piperidin-1-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-3-(2-piperidin-1-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-3-(2-piperidin-1-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine (CID 78054671) is 5-(1-methylpyrazol-4-yl)-3-(2-piperidin-1-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-3-(2-piperidin-1-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-3-(2-piperidin-1-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine is Cn1cc(C2CC3C(CN2)NNC3c2ccnc(N3CCCCC3)n2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-3-(2-piperidin-1-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is SWIOPXOADPLQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N8/c1-26-12-13(10-22-26)16-9-14-17(11-21-16)24-25-18(14)15-5-6-20-19(23-15)27-7-3-2-4-8-27/h5-6,10,12,14,16-18,21,24-25H,2-4,7-9,11H2,1H3.
What are the key properties of 5-(1-methylpyrazol-4-yl)-3-(2-piperidin-1-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
5-(1-methylpyrazol-4-yl)-3-(2-piperidin-1-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 368.49 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-3-(2-piperidin-1-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 78054671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).