1-(3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone

C19H29N3O3 — CID 29256033

IUPAC1-(3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone
SMILESO=C(COC[C@H]1CCCCO1)N1CCc2[nH]nc(C3CCCC3)c2C1
InChIInChI=1S/C19H29N3O3/c23-18(13-24-12-15-7-3-4-10-25-15)22-9-8-17-16(11-22)19(21-20-17)14-5-1-2-6-14/h14-15H,1-13H2,(H,20,21)/t15-/m1/s1
InChIKeyUAPSRXLBVMDITB-OAHLLOKOSA-N
MW347.46 g/mol
LogP2.54
Rot. Bonds5

About 1-(3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone

1-(3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone (PubChem CID 29256033) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone.

Molecular Properties

Compound Name1-(3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone
PubChem CID29256033
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-(3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone
SMILESO=C(COC[C@H]1CCCCO1)N1CCc2[nH]nc(C3CCCC3)c2C1
InChIInChI=1S/C19H29N3O3/c23-18(13-24-12-15-7-3-4-10-25-15)22-9-8-17-16(11-22)19(21-20-17)14-5-1-2-6-14/h14-15H,1-13H2,(H,20,21)/t15-/m1/s1
InChIKeyUAPSRXLBVMDITB-OAHLLOKOSA-N
XLogP2.54
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone?
The IUPAC name of 1-(3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone (CID 29256033) is 1-(3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone.
What is the SMILES notation for 1-(3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone?
The canonical SMILES for 1-(3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone is O=C(COC[C@H]1CCCCO1)N1CCc2[nH]nc(C3CCCC3)c2C1.
What is the InChIKey of 1-(3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone?
The InChIKey is UAPSRXLBVMDITB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N3O3/c23-18(13-24-12-15-7-3-4-10-25-15)22-9-8-17-16(11-22)19(21-20-17)14-5-1-2-6-14/h14-15H,1-13H2,(H,20,21)/t15-/m1/s1.
What are the key properties of 1-(3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone?
1-(3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone has a molecular weight of 347.46 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone is sourced from PubChem (CID 29256033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).