5-[5-[(2S)-oxan-2-yl]thiophen-2-yl]-1-(pyridin-3-ylmethyl)-4H-imidazo[4,5-d]pyrazole

C19H19N5OS — CID 135912646

IUPAC5-[5-[(2S)-oxan-2-yl]thiophen-2-yl]-1-(pyridin-3-ylmethyl)-4H-imidazo[4,5-d]pyrazole
SMILESc1cncc(Cn2ncc3[nH]c(-c4ccc([C@@H]5CCCCO5)s4)nc32)c1
InChIInChI=1S/C19H19N5OS/c1-2-9-25-15(5-1)16-6-7-17(26-16)18-22-14-11-21-24(19(14)23-18)12-13-4-3-8-20-10-13/h3-4,6-8,10-11,15H,1-2,5,9,12H2,(H,22,23)/t15-/m0/s1
InChIKeyUFLXWKKCLVYYJO-HNNXBMFYSA-N
MW365.46 g/mol
LogP4.17
Rot. Bonds4

About 5-[5-[(2S)-oxan-2-yl]thiophen-2-yl]-1-(pyridin-3-ylmethyl)-4H-imidazo[4,5-d]pyrazole

5-[5-[(2S)-oxan-2-yl]thiophen-2-yl]-1-(pyridin-3-ylmethyl)-4H-imidazo[4,5-d]pyrazole (PubChem CID 135912646) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 5-[5-[(2S)-oxan-2-yl]thiophen-2-yl]-1-(pyridin-3-ylmethyl)-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-[5-[(2S)-oxan-2-yl]thiophen-2-yl]-1-(pyridin-3-ylmethyl)-4H-imidazo[4,5-d]pyrazole
PubChem CID135912646
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name5-[5-[(2S)-oxan-2-yl]thiophen-2-yl]-1-(pyridin-3-ylmethyl)-4H-imidazo[4,5-d]pyrazole
SMILESc1cncc(Cn2ncc3[nH]c(-c4ccc([C@@H]5CCCCO5)s4)nc32)c1
InChIInChI=1S/C19H19N5OS/c1-2-9-25-15(5-1)16-6-7-17(26-16)18-22-14-11-21-24(19(14)23-18)12-13-4-3-8-20-10-13/h3-4,6-8,10-11,15H,1-2,5,9,12H2,(H,22,23)/t15-/m0/s1
InChIKeyUFLXWKKCLVYYJO-HNNXBMFYSA-N
XLogP4.17
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2S)-oxan-2-yl]thiophen-2-yl]-1-(pyridin-3-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 5-[5-[(2S)-oxan-2-yl]thiophen-2-yl]-1-(pyridin-3-ylmethyl)-4H-imidazo[4,5-d]pyrazole (CID 135912646) is 5-[5-[(2S)-oxan-2-yl]thiophen-2-yl]-1-(pyridin-3-ylmethyl)-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-[5-[(2S)-oxan-2-yl]thiophen-2-yl]-1-(pyridin-3-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-[5-[(2S)-oxan-2-yl]thiophen-2-yl]-1-(pyridin-3-ylmethyl)-4H-imidazo[4,5-d]pyrazole is c1cncc(Cn2ncc3[nH]c(-c4ccc([C@@H]5CCCCO5)s4)nc32)c1.
What is the InChIKey of 5-[5-[(2S)-oxan-2-yl]thiophen-2-yl]-1-(pyridin-3-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
The InChIKey is UFLXWKKCLVYYJO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-2-9-25-15(5-1)16-6-7-17(26-16)18-22-14-11-21-24(19(14)23-18)12-13-4-3-8-20-10-13/h3-4,6-8,10-11,15H,1-2,5,9,12H2,(H,22,23)/t15-/m0/s1.
What are the key properties of 5-[5-[(2S)-oxan-2-yl]thiophen-2-yl]-1-(pyridin-3-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
5-[5-[(2S)-oxan-2-yl]thiophen-2-yl]-1-(pyridin-3-ylmethyl)-4H-imidazo[4,5-d]pyrazole has a molecular weight of 365.46 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2S)-oxan-2-yl]thiophen-2-yl]-1-(pyridin-3-ylmethyl)-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135912646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).