4-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-2H-pyrrolo[3,4-c]pyridin-1-ol

C22H28N6O — CID 137018868

IUPAC4-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-2H-pyrrolo[3,4-c]pyridin-1-ol
SMILESOc1[nH]cc2c(-c3ccnc(NC4CCCCC4)c3)nc(N3CCNCC3)cc12
InChIInChI=1S/C22H28N6O/c29-22-17-13-20(28-10-8-23-9-11-28)27-21(18(17)14-25-22)15-6-7-24-19(12-15)26-16-4-2-1-3-5-16/h6-7,12-14,16,23,25,29H,1-5,8-11H2,(H,24,26)
InChIKeyGPHBLMUFANJTOZ-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.48
Rot. Bonds4

About 4-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-2H-pyrrolo[3,4-c]pyridin-1-ol

4-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-2H-pyrrolo[3,4-c]pyridin-1-ol (PubChem CID 137018868) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 4-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-2H-pyrrolo[3,4-c]pyridin-1-ol.

Molecular Properties

Compound Name4-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-2H-pyrrolo[3,4-c]pyridin-1-ol
PubChem CID137018868
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name4-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-2H-pyrrolo[3,4-c]pyridin-1-ol
SMILESOc1[nH]cc2c(-c3ccnc(NC4CCCCC4)c3)nc(N3CCNCC3)cc12
InChIInChI=1S/C22H28N6O/c29-22-17-13-20(28-10-8-23-9-11-28)27-21(18(17)14-25-22)15-6-7-24-19(12-15)26-16-4-2-1-3-5-16/h6-7,12-14,16,23,25,29H,1-5,8-11H2,(H,24,26)
InChIKeyGPHBLMUFANJTOZ-UHFFFAOYSA-N
XLogP3.48
TPSA89.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-2H-pyrrolo[3,4-c]pyridin-1-ol?
The IUPAC name of 4-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-2H-pyrrolo[3,4-c]pyridin-1-ol (CID 137018868) is 4-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-2H-pyrrolo[3,4-c]pyridin-1-ol.
What is the SMILES notation for 4-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-2H-pyrrolo[3,4-c]pyridin-1-ol?
The canonical SMILES for 4-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-2H-pyrrolo[3,4-c]pyridin-1-ol is Oc1[nH]cc2c(-c3ccnc(NC4CCCCC4)c3)nc(N3CCNCC3)cc12.
What is the InChIKey of 4-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-2H-pyrrolo[3,4-c]pyridin-1-ol?
The InChIKey is GPHBLMUFANJTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c29-22-17-13-20(28-10-8-23-9-11-28)27-21(18(17)14-25-22)15-6-7-24-19(12-15)26-16-4-2-1-3-5-16/h6-7,12-14,16,23,25,29H,1-5,8-11H2,(H,24,26).
What are the key properties of 4-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-2H-pyrrolo[3,4-c]pyridin-1-ol?
4-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-2H-pyrrolo[3,4-c]pyridin-1-ol has a molecular weight of 392.51 g/mol, XLogP of 3.48, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-2H-pyrrolo[3,4-c]pyridin-1-ol is sourced from PubChem (CID 137018868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).