[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

C20H30N6O — CID 97206006

IUPAC[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESCN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1
InChIInChI=1S/C20H30N6O/c1-24(2)12-13-25-11-9-21-19(25)15-6-5-10-26(14-15)20(27)18-16-7-3-4-8-17(16)22-23-18/h9,11,15H,3-8,10,12-14H2,1-2H3,(H,22,23)/t15-/m0/s1
InChIKeyVIQBPYTXTDQCBR-HNNXBMFYSA-N
MW370.50 g/mol
LogP2.07
Rot. Bonds5

About [(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (PubChem CID 97206006) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is [(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
PubChem CID97206006
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESCN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1
InChIInChI=1S/C20H30N6O/c1-24(2)12-13-25-11-9-21-19(25)15-6-5-10-26(14-15)20(27)18-16-7-3-4-8-17(16)22-23-18/h9,11,15H,3-8,10,12-14H2,1-2H3,(H,22,23)/t15-/m0/s1
InChIKeyVIQBPYTXTDQCBR-HNNXBMFYSA-N
XLogP2.07
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 72863488
[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 97270282
[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 72850501
[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 97277772
[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 97198762
[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 97187446
(3,4-dimethoxyphenyl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 72883629
1-[5-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 72842343
[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone
CID 97196493
[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 72854115
[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 97202742
5-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 72882373

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The IUPAC name of [(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (CID 97206006) is [(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.
What is the SMILES notation for [(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The canonical SMILES for [(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1.
What is the InChIKey of [(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The InChIKey is VIQBPYTXTDQCBR-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-24(2)12-13-25-11-9-21-19(25)15-6-5-10-26(14-15)20(27)18-16-7-3-4-8-17(16)22-23-18/h9,11,15H,3-8,10,12-14H2,1-2H3,(H,22,23)/t15-/m0/s1.
What are the key properties of [(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone has a molecular weight of 370.50 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is sourced from PubChem (CID 97206006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).