6-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1,5,5-trimethylpiperidin-3-yl)indazole

C21H32N4 — CID 169112387

IUPAC6-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1,5,5-trimethylpiperidin-3-yl)indazole
SMILESC[C@H]1CC[C@H](c2ccc3cn(C4CN(C)CC(C)(C)C4)nc3c2)NC1
InChIInChI=1S/C21H32N4/c1-15-5-8-19(22-11-15)16-6-7-17-12-25(23-20(17)9-16)18-10-21(2,3)14-24(4)13-18/h6-7,9,12,15,18-19,22H,5,8,10-11,13-14H2,1-4H3/t15-,18?,19+/m0/s1
InChIKeyXLTLMPVWVPXPQA-JMRRQPBMSA-N
MW340.52 g/mol
LogP4.00
Rot. Bonds2

About 6-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1,5,5-trimethylpiperidin-3-yl)indazole

6-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1,5,5-trimethylpiperidin-3-yl)indazole (PubChem CID 169112387) has the molecular formula C21H32N4 and a molecular weight of 340.52 g/mol. Its IUPAC name is 6-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1,5,5-trimethylpiperidin-3-yl)indazole.

Molecular Properties

Compound Name6-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1,5,5-trimethylpiperidin-3-yl)indazole
PubChem CID169112387
Molecular FormulaC21H32N4
Molecular Weight340.52 g/mol
Exact Mass340.26
IUPAC Name6-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1,5,5-trimethylpiperidin-3-yl)indazole
SMILESC[C@H]1CC[C@H](c2ccc3cn(C4CN(C)CC(C)(C)C4)nc3c2)NC1
InChIInChI=1S/C21H32N4/c1-15-5-8-19(22-11-15)16-6-7-17-12-25(23-20(17)9-16)18-10-21(2,3)14-24(4)13-18/h6-7,9,12,15,18-19,22H,5,8,10-11,13-14H2,1-4H3/t15-,18?,19+/m0/s1
InChIKeyXLTLMPVWVPXPQA-JMRRQPBMSA-N
XLogP4.00
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.52
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole
CID 176754610
6-(5-methylpiperidin-2-yl)-2-(oxolan-3-yl)indazole
CID 169112657
2-methyl-6-(5-methylpiperidin-2-yl)indazole
CID 171618705
3-methyl-7-[(2R,5S)-5-methylpiperidin-2-yl]quinoline
CID 169113739
(3S)-3-methyl-8-[(5S)-5-methylpiperidin-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole
CID 176910061
2-(4-fluoro-1-methylpiperidin-4-yl)-5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole
CID 164753774
2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzoxazole
CID 175627696
2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole
CID 167652954
5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazol-2-amine
CID 164750164
2-(2-methoxyethyl)-5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole
CID 164753062
5-(5-methylpiperidin-2-yl)-1,3-benzothiazole
CID 164750446
4-[(2S,5R)-5-methylpiperidin-2-yl]-2-propan-2-ylphenol
CID 164753784

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1,5,5-trimethylpiperidin-3-yl)indazole?
The IUPAC name of 6-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1,5,5-trimethylpiperidin-3-yl)indazole (CID 169112387) is 6-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1,5,5-trimethylpiperidin-3-yl)indazole.
What is the SMILES notation for 6-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1,5,5-trimethylpiperidin-3-yl)indazole?
The canonical SMILES for 6-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1,5,5-trimethylpiperidin-3-yl)indazole is C[C@H]1CC[C@H](c2ccc3cn(C4CN(C)CC(C)(C)C4)nc3c2)NC1.
What is the InChIKey of 6-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1,5,5-trimethylpiperidin-3-yl)indazole?
The InChIKey is XLTLMPVWVPXPQA-JMRRQPBMSA-N. The full InChI is InChI=1S/C21H32N4/c1-15-5-8-19(22-11-15)16-6-7-17-12-25(23-20(17)9-16)18-10-21(2,3)14-24(4)13-18/h6-7,9,12,15,18-19,22H,5,8,10-11,13-14H2,1-4H3/t15-,18?,19+/m0/s1.
What are the key properties of 6-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1,5,5-trimethylpiperidin-3-yl)indazole?
6-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1,5,5-trimethylpiperidin-3-yl)indazole has a molecular weight of 340.52 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1,5,5-trimethylpiperidin-3-yl)indazole is sourced from PubChem (CID 169112387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).