[(5R)-1-ethyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone

C25H35N5O2 — CID 26140211

IUPAC[(5R)-1-ethyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](N1CCN(c3ccccc3OC)CC1)C2
InChIInChI=1S/C25H35N5O2/c1-3-30-21-11-10-19(18-20(21)24(26-30)25(31)29-12-6-7-13-29)27-14-16-28(17-15-27)22-8-4-5-9-23(22)32-2/h4-5,8-9,19H,3,6-7,10-18H2,1-2H3/t19-/m1/s1
InChIKeyZNKUXHWCPLDEGI-LJQANCHMSA-N
MW437.59 g/mol
LogP2.83
Rot. Bonds5

About [(5R)-1-ethyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone

[(5R)-1-ethyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 26140211) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is [(5R)-1-ethyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(5R)-1-ethyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID26140211
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC Name[(5R)-1-ethyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](N1CCN(c3ccccc3OC)CC1)C2
InChIInChI=1S/C25H35N5O2/c1-3-30-21-11-10-19(18-20(21)24(26-30)25(31)29-12-6-7-13-29)27-14-16-28(17-15-27)22-8-4-5-9-23(22)32-2/h4-5,8-9,19H,3,6-7,10-18H2,1-2H3/t19-/m1/s1
InChIKeyZNKUXHWCPLDEGI-LJQANCHMSA-N
XLogP2.83
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-ethyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazol-3-yl)-piperidin-1-ylmethanone
CID 45164151
[5-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 45161837
[5-[4-(4-fluorophenyl)piperazin-1-yl]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45160335
N-benzyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160857
2-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 26912236
[5-(4-methoxypiperidin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 134573901
3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentan-1-one
CID 112723099
azepan-1-yl-[5-(4-ethylpiperazin-1-yl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45160910
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one
CID 10565307
5-(azocan-1-yl)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45163019
[1-ethyl-5-(2-phenylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45164558
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 45251297

Frequently Asked Questions

What is the IUPAC name of [(5R)-1-ethyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(5R)-1-ethyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone (CID 26140211) is [(5R)-1-ethyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(5R)-1-ethyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(5R)-1-ethyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone is CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](N1CCN(c3ccccc3OC)CC1)C2.
What is the InChIKey of [(5R)-1-ethyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZNKUXHWCPLDEGI-LJQANCHMSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-3-30-21-11-10-19(18-20(21)24(26-30)25(31)29-12-6-7-13-29)27-14-16-28(17-15-27)22-8-4-5-9-23(22)32-2/h4-5,8-9,19H,3,6-7,10-18H2,1-2H3/t19-/m1/s1.
What are the key properties of [(5R)-1-ethyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
[(5R)-1-ethyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 437.59 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-1-ethyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 26140211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).