6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-5-methyl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine

C18H24N6O2S — CID 168797692

IUPAC6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-5-methyl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine
SMILESCC1=NC2N=CNC2C=C1C1CCN(S(=O)(=O)c2cnn3c2CCC3)CC1
InChIInChI=1S/C18H24N6O2S/c1-12-14(9-15-18(22-12)20-11-19-15)13-4-7-23(8-5-13)27(25,26)17-10-21-24-6-2-3-16(17)24/h9-11,13,15,18H,2-8H2,1H3,(H,19,20)
InChIKeyBVLFGOZYZLFZKV-UHFFFAOYSA-N
MW388.50 g/mol
LogP0.96
Rot. Bonds3

About 6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-5-methyl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine

6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-5-methyl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine (PubChem CID 168797692) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is 6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-5-methyl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-5-methyl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine
PubChem CID168797692
Molecular FormulaC18H24N6O2S
Molecular Weight388.50 g/mol
Exact Mass388.17
IUPAC Name6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-5-methyl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine
SMILESCC1=NC2N=CNC2C=C1C1CCN(S(=O)(=O)c2cnn3c2CCC3)CC1
InChIInChI=1S/C18H24N6O2S/c1-12-14(9-15-18(22-12)20-11-19-15)13-4-7-23(8-5-13)27(25,26)17-10-21-24-6-2-3-16(17)24/h9-11,13,15,18H,2-8H2,1H3,(H,19,20)
InChIKeyBVLFGOZYZLFZKV-UHFFFAOYSA-N
XLogP0.96
TPSA91.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-5-methyl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-5-methyl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-5-methyl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine (CID 168797692) is 6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-5-methyl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-5-methyl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-5-methyl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine is CC1=NC2N=CNC2C=C1C1CCN(S(=O)(=O)c2cnn3c2CCC3)CC1.
What is the InChIKey of 6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-5-methyl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine?
The InChIKey is BVLFGOZYZLFZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c1-12-14(9-15-18(22-12)20-11-19-15)13-4-7-23(8-5-13)27(25,26)17-10-21-24-6-2-3-16(17)24/h9-11,13,15,18H,2-8H2,1H3,(H,19,20).
What are the key properties of 6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-5-methyl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine?
6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-5-methyl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine has a molecular weight of 388.50 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-5-methyl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 168797692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).