1-methyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyrrolo[2,3-b]pyridine

C19H23N5O2S — CID 53161185

IUPAC1-methyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyrrolo[2,3-b]pyridine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CC=C(c2cn(C)c3ncccc23)CC1
InChIInChI=1S/C19H23N5O2S/c1-13-18(14(2)23(4)21-13)27(25,26)24-10-7-15(8-11-24)17-12-22(3)19-16(17)6-5-9-20-19/h5-7,9,12H,8,10-11H2,1-4H3
InChIKeyRXRHRUYSUYUGNT-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.40
Rot. Bonds3

About 1-methyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyrrolo[2,3-b]pyridine

1-methyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyrrolo[2,3-b]pyridine (PubChem CID 53161185) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-methyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-methyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyrrolo[2,3-b]pyridine
PubChem CID53161185
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name1-methyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyrrolo[2,3-b]pyridine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CC=C(c2cn(C)c3ncccc23)CC1
InChIInChI=1S/C19H23N5O2S/c1-13-18(14(2)23(4)21-13)27(25,26)24-10-7-15(8-11-24)17-12-22(3)19-16(17)6-5-9-20-19/h5-7,9,12H,8,10-11H2,1-4H3
InChIKeyRXRHRUYSUYUGNT-UHFFFAOYSA-N
XLogP2.40
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-methyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyrrolo[2,3-b]pyridine (CID 53161185) is 1-methyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-methyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-methyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyrrolo[2,3-b]pyridine is Cc1nn(C)c(C)c1S(=O)(=O)N1CC=C(c2cn(C)c3ncccc23)CC1.
What is the InChIKey of 1-methyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyrrolo[2,3-b]pyridine?
The InChIKey is RXRHRUYSUYUGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-13-18(14(2)23(4)21-13)27(25,26)24-10-7-15(8-11-24)17-12-22(3)19-16(17)6-5-9-20-19/h5-7,9,12H,8,10-11H2,1-4H3.
What are the key properties of 1-methyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyrrolo[2,3-b]pyridine?
1-methyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyrrolo[2,3-b]pyridine has a molecular weight of 385.49 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 53161185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).