2-[(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C16H26N4O2S — CID 136549666

IUPAC2-[(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESO=S(=O)(C1CC1)N1CCCN(Cc2cc3n(n2)CCCC3)CC1
InChIInChI=1S/C16H26N4O2S/c21-23(22,16-5-6-16)19-8-3-7-18(10-11-19)13-14-12-15-4-1-2-9-20(15)17-14/h12,16H,1-11,13H2
InChIKeyILSPVRYXPIVESJ-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.22
Rot. Bonds4

About 2-[(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

2-[(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 136549666) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-[(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID136549666
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name2-[(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESO=S(=O)(C1CC1)N1CCCN(Cc2cc3n(n2)CCCC3)CC1
InChIInChI=1S/C16H26N4O2S/c21-23(22,16-5-6-16)19-8-3-7-18(10-11-19)13-14-12-15-4-1-2-9-20(15)17-14/h12,16H,1-11,13H2
InChIKeyILSPVRYXPIVESJ-UHFFFAOYSA-N
XLogP1.22
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 2-[(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 136549666) is 2-[(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-[(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is O=S(=O)(C1CC1)N1CCCN(Cc2cc3n(n2)CCCC3)CC1.
What is the InChIKey of 2-[(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is ILSPVRYXPIVESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c21-23(22,16-5-6-16)19-8-3-7-18(10-11-19)13-14-12-15-4-1-2-9-20(15)17-14/h12,16H,1-11,13H2.
What are the key properties of 2-[(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
2-[(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 338.48 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 136549666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).