4-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-2-one

C19H26N8O — CID 134822716

IUPAC4-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-2-one
SMILESCn1cc(C2CCC3NNC(c4cc(N5CCNC(=O)C5)ncn4)C3C2)cn1
InChIInChI=1S/C19H26N8O/c1-26-9-13(8-23-26)12-2-3-15-14(6-12)19(25-24-15)16-7-17(22-11-21-16)27-5-4-20-18(28)10-27/h7-9,11-12,14-15,19,24-25H,2-6,10H2,1H3,(H,20,28)
InChIKeyXKRIGKPTGJTSLU-UHFFFAOYSA-N
MW382.47 g/mol
LogP0.25
Rot. Bonds3

About 4-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-2-one

4-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-2-one (PubChem CID 134822716) has the molecular formula C19H26N8O and a molecular weight of 382.47 g/mol. Its IUPAC name is 4-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-2-one
PubChem CID134822716
Molecular FormulaC19H26N8O
Molecular Weight382.47 g/mol
Exact Mass382.22
IUPAC Name4-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-2-one
SMILESCn1cc(C2CCC3NNC(c4cc(N5CCNC(=O)C5)ncn4)C3C2)cn1
InChIInChI=1S/C19H26N8O/c1-26-9-13(8-23-26)12-2-3-15-14(6-12)19(25-24-15)16-7-17(22-11-21-16)27-5-4-20-18(28)10-27/h7-9,11-12,14-15,19,24-25H,2-6,10H2,1H3,(H,20,28)
InChIKeyXKRIGKPTGJTSLU-UHFFFAOYSA-N
XLogP0.25
TPSA100.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 4-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-2-one (CID 134822716) is 4-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 4-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 4-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-2-one is Cn1cc(C2CCC3NNC(c4cc(N5CCNC(=O)C5)ncn4)C3C2)cn1.
What is the InChIKey of 4-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-2-one?
The InChIKey is XKRIGKPTGJTSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O/c1-26-9-13(8-23-26)12-2-3-15-14(6-12)19(25-24-15)16-7-17(22-11-21-16)27-5-4-20-18(28)10-27/h7-9,11-12,14-15,19,24-25H,2-6,10H2,1H3,(H,20,28).
What are the key properties of 4-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-2-one?
4-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-2-one has a molecular weight of 382.47 g/mol, XLogP of 0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 134822716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).