[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

C22H23N5O2 — CID 95822861

IUPAC[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2nccnc2Oc2ccccc2)C1
InChIInChI=1S/C22H23N5O2/c28-22(20-17-9-4-10-18(17)25-26-20)27-13-5-6-15(14-27)19-21(24-12-11-23-19)29-16-7-2-1-3-8-16/h1-3,7-8,11-12,15H,4-6,9-10,13-14H2,(H,25,26)/t15-/m1/s1
InChIKeyLIBABVBSSQVTBQ-OAHLLOKOSA-N
MW389.46 g/mol
LogP3.50
Rot. Bonds4

About [(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (PubChem CID 95822861) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is [(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
PubChem CID95822861
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2nccnc2Oc2ccccc2)C1
InChIInChI=1S/C22H23N5O2/c28-22(20-17-9-4-10-18(17)25-26-20)27-13-5-6-15(14-27)19-21(24-12-11-23-19)29-16-7-2-1-3-8-16/h1-3,7-8,11-12,15H,4-6,9-10,13-14H2,(H,25,26)/t15-/m1/s1
InChIKeyLIBABVBSSQVTBQ-OAHLLOKOSA-N
XLogP3.50
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-phenylazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 77090678
4-[(3R)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97202813
4-[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97202812
3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 72929646
[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 124966908
(2-morpholin-4-yl-4-pyridinyl)-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 110151084
(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124981897
1-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 95823286
[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 97270282
[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95822311
1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821906
[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 72863488

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The IUPAC name of [(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (CID 95822861) is [(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.
What is the SMILES notation for [(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The canonical SMILES for [(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2nccnc2Oc2ccccc2)C1.
What is the InChIKey of [(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The InChIKey is LIBABVBSSQVTBQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-22(20-17-9-4-10-18(17)25-26-20)27-13-5-6-15(14-27)19-21(24-12-11-23-19)29-16-7-2-1-3-8-16/h1-3,7-8,11-12,15H,4-6,9-10,13-14H2,(H,25,26)/t15-/m1/s1.
What are the key properties of [(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone has a molecular weight of 389.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is sourced from PubChem (CID 95822861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).