(3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone

C20H20N4O2S — CID 54576245

IUPAC(3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
SMILESO=C(c1csc(-c2cn[nH]c2)c1)N1C2CCC1CC(O)(c1ccccn1)C2
InChIInChI=1S/C20H20N4O2S/c25-19(13-7-17(27-12-13)14-10-22-23-11-14)24-15-4-5-16(24)9-20(26,8-15)18-3-1-2-6-21-18/h1-3,6-7,10-12,15-16,26H,4-5,8-9H2,(H,22,23)
InChIKeyJXBDXEULQKDKHF-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.19
Rot. Bonds3

About (3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone

(3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone (PubChem CID 54576245) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is (3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
PubChem CID54576245
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name(3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
SMILESO=C(c1csc(-c2cn[nH]c2)c1)N1C2CCC1CC(O)(c1ccccn1)C2
InChIInChI=1S/C20H20N4O2S/c25-19(13-7-17(27-12-13)14-10-22-23-11-14)24-15-4-5-16(24)9-20(26,8-15)18-3-1-2-6-21-18/h1-3,6-7,10-12,15-16,26H,4-5,8-9H2,(H,22,23)
InChIKeyJXBDXEULQKDKHF-UHFFFAOYSA-N
XLogP3.19
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone with MolForge

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Related Compounds

[(1R,5S)-3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 54575987
[3-hydroxy-3-[3-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 54576461
3-(3-methyl-2-pyridinyl)-8-[5-(1H-pyrazol-4-yl)thiophene-3-carbonyl]-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 54576889
[3-fluoro-3-(1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 54577107
[5-[(E)-1-(aziridin-2-ylimino)but-2-en-2-yl]thiophen-3-yl]-(3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 147565092
[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 51036130
(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-6-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 156715789
[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 51036532
(1R,5R)-8-methyl-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 54305859
[4-(3-chloro-6-ethyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-5-methyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 159699446
[(1S,5R)-3-(2-fluoro-3-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-pyrazin-2-ylmethanone
CID 95799353
(3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)-thiophen-2-ylmethanone
CID 649299

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The IUPAC name of (3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone (CID 54576245) is (3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone.
What is the SMILES notation for (3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The canonical SMILES for (3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone is O=C(c1csc(-c2cn[nH]c2)c1)N1C2CCC1CC(O)(c1ccccn1)C2.
What is the InChIKey of (3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The InChIKey is JXBDXEULQKDKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c25-19(13-7-17(27-12-13)14-10-22-23-11-14)24-15-4-5-16(24)9-20(26,8-15)18-3-1-2-6-21-18/h1-3,6-7,10-12,15-16,26H,4-5,8-9H2,(H,22,23).
What are the key properties of (3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
(3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone has a molecular weight of 380.47 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone is sourced from PubChem (CID 54576245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).