1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-3-(thiadiazol-4-yl)piperidin-1-yl]ethanone

C21H23FN6OS — CID 92573883

IUPAC1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-3-(thiadiazol-4-yl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC[C@H](c2csnn2)C1)N1CCc2[nH]nc(-c3ccccc3F)c2C1
InChIInChI=1S/C21H23FN6OS/c22-17-6-2-1-5-15(17)21-16-11-28(9-7-18(16)23-25-21)20(29)12-27-8-3-4-14(10-27)19-13-30-26-24-19/h1-2,5-6,13-14H,3-4,7-12H2,(H,23,25)/t14-/m0/s1
InChIKeyYXXCFBMLZDUDKE-AWEZNQCLSA-N
MW426.52 g/mol
LogP2.83
Rot. Bonds4

About 1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-3-(thiadiazol-4-yl)piperidin-1-yl]ethanone

1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-3-(thiadiazol-4-yl)piperidin-1-yl]ethanone (PubChem CID 92573883) has the molecular formula C21H23FN6OS and a molecular weight of 426.52 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-3-(thiadiazol-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-3-(thiadiazol-4-yl)piperidin-1-yl]ethanone
PubChem CID92573883
Molecular FormulaC21H23FN6OS
Molecular Weight426.52 g/mol
Exact Mass426.16
IUPAC Name1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-3-(thiadiazol-4-yl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC[C@H](c2csnn2)C1)N1CCc2[nH]nc(-c3ccccc3F)c2C1
InChIInChI=1S/C21H23FN6OS/c22-17-6-2-1-5-15(17)21-16-11-28(9-7-18(16)23-25-21)20(29)12-27-8-3-4-14(10-27)19-13-30-26-24-19/h1-2,5-6,13-14H,3-4,7-12H2,(H,23,25)/t14-/m0/s1
InChIKeyYXXCFBMLZDUDKE-AWEZNQCLSA-N
XLogP2.83
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 56750876
1-[2-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]pyrrolidin-2-one
CID 25287605
[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone
CID 45250420
2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110249315
2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 149368062
1-[4-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]ethanone
CID 42455062
(2R)-2-amino-1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenylethanone
CID 56754577
(2S)-2-amino-1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 56745050
3-(2-fluorophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110540065
2,3-dihydro-1-benzofuran-2-yl-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46986438
1-[(3R,4S)-3-(4-fluorophenyl)-4-(thiadiazol-4-yl)pyrrolidin-1-yl]-2-(3-methylpiperidin-1-yl)ethanone
CID 110217331
[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylindol-3-yl)methanone
CID 46994611

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-3-(thiadiazol-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-3-(thiadiazol-4-yl)piperidin-1-yl]ethanone (CID 92573883) is 1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-3-(thiadiazol-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-3-(thiadiazol-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-3-(thiadiazol-4-yl)piperidin-1-yl]ethanone is O=C(CN1CCC[C@H](c2csnn2)C1)N1CCc2[nH]nc(-c3ccccc3F)c2C1.
What is the InChIKey of 1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-3-(thiadiazol-4-yl)piperidin-1-yl]ethanone?
The InChIKey is YXXCFBMLZDUDKE-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23FN6OS/c22-17-6-2-1-5-15(17)21-16-11-28(9-7-18(16)23-25-21)20(29)12-27-8-3-4-14(10-27)19-13-30-26-24-19/h1-2,5-6,13-14H,3-4,7-12H2,(H,23,25)/t14-/m0/s1.
What are the key properties of 1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-3-(thiadiazol-4-yl)piperidin-1-yl]ethanone?
1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-3-(thiadiazol-4-yl)piperidin-1-yl]ethanone has a molecular weight of 426.52 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-3-(thiadiazol-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 92573883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).