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

C25H28N6O3S — CID 147652658

IUPAC6-propan-2-yloxy-1-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine
SMILESCC(C)Oc1cc2c(cn1)CN=C2c1ccnc(N2CCN(S(=O)(=O)Cc3ccccn3)CC2)c1
InChIInChI=1S/C25H28N6O3S/c1-18(2)34-24-14-22-20(15-28-24)16-29-25(22)19-6-8-27-23(13-19)30-9-11-31(12-10-30)35(32,33)17-21-5-3-4-7-26-21/h3-8,13-15,18H,9-12,16-17H2,1-2H3
InChIKeyGJUNKVYHOWJHFN-UHFFFAOYSA-N
MW492.61 g/mol
LogP2.66
Rot. Bonds7

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

6-propan-2-yloxy-1-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine (PubChem CID 147652658) has the molecular formula C25H28N6O3S and a molecular weight of 492.61 g/mol. Its IUPAC name is 6-propan-2-yloxy-1-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name6-propan-2-yloxy-1-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine
PubChem CID147652658
Molecular FormulaC25H28N6O3S
Molecular Weight492.61 g/mol
Exact Mass492.19
IUPAC Name6-propan-2-yloxy-1-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine
SMILESCC(C)Oc1cc2c(cn1)CN=C2c1ccnc(N2CCN(S(=O)(=O)Cc3ccccn3)CC2)c1
InChIInChI=1S/C25H28N6O3S/c1-18(2)34-24-14-22-20(15-28-24)16-29-25(22)19-6-8-27-23(13-19)30-9-11-31(12-10-30)35(32,33)17-21-5-3-4-7-26-21/h3-8,13-15,18H,9-12,16-17H2,1-2H3
InChIKeyGJUNKVYHOWJHFN-UHFFFAOYSA-N
XLogP2.66
TPSA100.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.61
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-(4-Methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)-4-(4-phenylmethoxyphenyl)pyrrolo[2,3-b]pyridine
CID 127046815
6-(2-(6-Methoxypyridin-3-ylamino)-5-((4-(methylsulfonyl)piperazin-1-yl)methyl)pyridin-3-yl)-2-methylpyrimidin-4-amine
CID 59548249
2-Methyl-6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine
CID 54670306
1-Methylsulfonyl-4-[[4-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]oxyphenyl]methyl]piperazine
CID 44481052
1-[[4-[1-(5-Fluoro-2-pyridinyl)piperidin-4-yl]oxyphenyl]methyl]-4-methylsulfonylpiperazine
CID 44481053
N-[6-[2-(2-fluoro-3-pyridinyl)-1-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide
CID 57794975
N-[6-[2-(2-fluoro-3-pyridinyl)-2-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide
CID 67012507
(R)-4-[5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-2,3-dihydro-furo[2,3-c]pyridin-2-yl]-5'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl
CID 71208569
5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine
CID 76555597
5-(2-ethoxy-6-piperidin-1-yl-4-pyridinyl)-N-[2-(2-fluoropropan-2-yl)-4-pyridinyl]-6-methylpyridin-3-amine
CID 134381103
1-[2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine
CID 148897011
1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine
CID 149177071

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-1-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 6-propan-2-yloxy-1-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine (CID 147652658) is 6-propan-2-yloxy-1-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 6-propan-2-yloxy-1-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 6-propan-2-yloxy-1-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine is CC(C)Oc1cc2c(cn1)CN=C2c1ccnc(N2CCN(S(=O)(=O)Cc3ccccn3)CC2)c1.
What is the InChIKey of 6-propan-2-yloxy-1-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine?
The InChIKey is GJUNKVYHOWJHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3S/c1-18(2)34-24-14-22-20(15-28-24)16-29-25(22)19-6-8-27-23(13-19)30-9-11-31(12-10-30)35(32,33)17-21-5-3-4-7-26-21/h3-8,13-15,18H,9-12,16-17H2,1-2H3.
What are the key properties of 6-propan-2-yloxy-1-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine?
6-propan-2-yloxy-1-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine has a molecular weight of 492.61 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-1-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 147652658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).