1-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-2-thiophen-3-ylethanone

C19H16F2N2OS — CID 157189819

IUPAC1-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)C1CCn2ncc(-c3ccc(F)cc3F)c2C1
InChIInChI=1S/C19H16F2N2OS/c20-14-1-2-15(17(21)9-14)16-10-22-23-5-3-13(8-18(16)23)19(24)7-12-4-6-25-11-12/h1-2,4,6,9-11,13H,3,5,7-8H2
InChIKeyAPOLZNDRAGWFDX-UHFFFAOYSA-N
MW358.41 g/mol
LogP4.26
Rot. Bonds4

About 1-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-2-thiophen-3-ylethanone

1-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-2-thiophen-3-ylethanone (PubChem CID 157189819) has the molecular formula C19H16F2N2OS and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-2-thiophen-3-ylethanone
PubChem CID157189819
Molecular FormulaC19H16F2N2OS
Molecular Weight358.41 g/mol
Exact Mass358.10
IUPAC Name1-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)C1CCn2ncc(-c3ccc(F)cc3F)c2C1
InChIInChI=1S/C19H16F2N2OS/c20-14-1-2-15(17(21)9-14)16-10-22-23-5-3-13(8-18(16)23)19(24)7-12-4-6-25-11-12/h1-2,4,6,9-11,13H,3,5,7-8H2
InChIKeyAPOLZNDRAGWFDX-UHFFFAOYSA-N
XLogP4.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 16191379
1-[(4S)-4-[2-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2-(trifluoromethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one
CID 166675778
1-[(4R)-2-ethyl-4-[2-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one
CID 169069489
1-[(4S)-4-[2-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2-prop-1-en-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one
CID 169069594
1-[(4S)-2-ethenyl-4-[2-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one
CID 169069614
{1-[(1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}(3-methyl-2-thienyl)methanone
CID 16192233
{1-[5-fluoro-2-(1H-pyrazol-1-yl)benzyl]-3-piperidinyl}(3-methyl-2-thienyl)methanone
CID 16187380
1-[(4S)-2-cyclopropyl-4-[2-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one
CID 169069643
2-(3,5-Difluorophenyl)-1-(5-thiophen-2-ylpyrazol-1-yl)ethanone
CID 2741927
{1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}(3-methyl-2-thienyl)methanone
CID 16190649
2-(4-fluorophenyl)-N-(2-(3-(thiophen-2-yl)-1H-pyrazol-1-yl)ethyl)acetamide
CID 71808114
1-[4-[1-(3-Fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 71842292

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-2-thiophen-3-ylethanone (CID 157189819) is 1-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)C1CCn2ncc(-c3ccc(F)cc3F)c2C1.
What is the InChIKey of 1-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-2-thiophen-3-ylethanone?
The InChIKey is APOLZNDRAGWFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2OS/c20-14-1-2-15(17(21)9-14)16-10-22-23-5-3-13(8-18(16)23)19(24)7-12-4-6-25-11-12/h1-2,4,6,9-11,13H,3,5,7-8H2.
What are the key properties of 1-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-2-thiophen-3-ylethanone?
1-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-2-thiophen-3-ylethanone has a molecular weight of 358.41 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 157189819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).