1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine

C25H27N5O3S — CID 160734458

IUPAC1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine
SMILESCC(C)Oc1cc2c(cn1)CN=C2c1ccnc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C25H27N5O3S/c1-18(2)33-24-15-22-20(16-27-24)17-28-25(22)19-8-9-26-23(14-19)29-10-12-30(13-11-29)34(31,32)21-6-4-3-5-7-21/h3-9,14-16,18H,10-13,17H2,1-2H3
InChIKeyRUTPJANTTLYRAN-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.13
Rot. Bonds6

About 1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine

1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine (PubChem CID 160734458) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine
PubChem CID160734458
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC Name1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine
SMILESCC(C)Oc1cc2c(cn1)CN=C2c1ccnc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C25H27N5O3S/c1-18(2)33-24-15-22-20(16-27-24)17-28-25(22)19-8-9-26-23(14-19)29-10-12-30(13-11-29)34(31,32)21-6-4-3-5-7-21/h3-9,14-16,18H,10-13,17H2,1-2H3
InChIKeyRUTPJANTTLYRAN-UHFFFAOYSA-N
XLogP3.13
TPSA87.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine with MolForge

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Related Compounds

2-cyclopropyl-5-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 157479162
5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 121476670
1-(benzenesulfonyl)-4-(4-methyl-2-pyridinyl)-1,4-diazepane
CID 136514751
4-[4-(benzenesulfonyl)piperazin-1-yl]-2,6-dimethoxypyrimidine
CID 42154688
1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-one
CID 160954151
4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
CID 157153991
3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 157482112
1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol
CID 158273269
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine
CID 42474150
4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine
CID 42474139
(2S,6R)-2,6-dimethyl-4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]morpholine
CID 158298103
4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine
CID 157234129

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine (CID 160734458) is 1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine is CC(C)Oc1cc2c(cn1)CN=C2c1ccnc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine?
The InChIKey is RUTPJANTTLYRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-18(2)33-24-15-22-20(16-27-24)17-28-25(22)19-8-9-26-23(14-19)29-10-12-30(13-11-29)34(31,32)21-6-4-3-5-7-21/h3-9,14-16,18H,10-13,17H2,1-2H3.
What are the key properties of 1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine?
1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine has a molecular weight of 477.59 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 160734458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).