3-cyclopentyl-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one

C19H28N4O2 — CID 46075103

IUPAC3-cyclopentyl-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCc2[nH]nc(C(=O)N3CCCC3)c2C1
InChIInChI=1S/C19H28N4O2/c24-17(8-7-14-5-1-2-6-14)23-12-9-16-15(13-23)18(21-20-16)19(25)22-10-3-4-11-22/h14H,1-13H2,(H,20,21)
InChIKeyGSHLZRCIBSEGSX-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.50
Rot. Bonds4

About 3-cyclopentyl-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one

3-cyclopentyl-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one (PubChem CID 46075103) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-cyclopentyl-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
PubChem CID46075103
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name3-cyclopentyl-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCc2[nH]nc(C(=O)N3CCCC3)c2C1
InChIInChI=1S/C19H28N4O2/c24-17(8-7-14-5-1-2-6-14)23-12-9-16-15(13-23)18(21-20-16)19(25)22-10-3-4-11-22/h14H,1-13H2,(H,20,21)
InChIKeyGSHLZRCIBSEGSX-UHFFFAOYSA-N
XLogP2.50
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one (CID 46075103) is 3-cyclopentyl-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one is O=C(CCC1CCCC1)N1CCc2[nH]nc(C(=O)N3CCCC3)c2C1.
What is the InChIKey of 3-cyclopentyl-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
The InChIKey is GSHLZRCIBSEGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-17(8-7-14-5-1-2-6-14)23-12-9-16-15(13-23)18(21-20-16)19(25)22-10-3-4-11-22/h14H,1-13H2,(H,20,21).
What are the key properties of 3-cyclopentyl-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
3-cyclopentyl-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one has a molecular weight of 344.46 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 46075103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).