2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole

C20H30N4 — CID 176754610

IUPAC2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole
SMILESC[C@H]1CC[C@H](c2ccc3cn([C@@H]4CCN(C)C[C@H]4C)nc3c2)NC1
InChIInChI=1S/C20H30N4/c1-14-4-7-18(21-11-14)16-5-6-17-13-24(22-19(17)10-16)20-8-9-23(3)12-15(20)2/h5-6,10,13-15,18,20-21H,4,7-9,11-12H2,1-3H3/t14-,15+,18+,20+/m0/s1
InChIKeyBFYLLPQGHAAQNO-QHDJUILOSA-N
MW326.49 g/mol
LogP3.61
Rot. Bonds2

About 2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole

2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole (PubChem CID 176754610) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is 2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole.

Molecular Properties

Compound Name2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole
PubChem CID176754610
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole
SMILESC[C@H]1CC[C@H](c2ccc3cn([C@@H]4CCN(C)C[C@H]4C)nc3c2)NC1
InChIInChI=1S/C20H30N4/c1-14-4-7-18(21-11-14)16-5-6-17-13-24(22-19(17)10-16)20-8-9-23(3)12-15(20)2/h5-6,10,13-15,18,20-21H,4,7-9,11-12H2,1-3H3/t14-,15+,18+,20+/m0/s1
InChIKeyBFYLLPQGHAAQNO-QHDJUILOSA-N
XLogP3.61
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole?
The IUPAC name of 2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole (CID 176754610) is 2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole.
What is the SMILES notation for 2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole?
The canonical SMILES for 2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole is C[C@H]1CC[C@H](c2ccc3cn([C@@H]4CCN(C)C[C@H]4C)nc3c2)NC1.
What is the InChIKey of 2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole?
The InChIKey is BFYLLPQGHAAQNO-QHDJUILOSA-N. The full InChI is InChI=1S/C20H30N4/c1-14-4-7-18(21-11-14)16-5-6-17-13-24(22-19(17)10-16)20-8-9-23(3)12-15(20)2/h5-6,10,13-15,18,20-21H,4,7-9,11-12H2,1-3H3/t14-,15+,18+,20+/m0/s1.
What are the key properties of 2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole?
2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole has a molecular weight of 326.49 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole is sourced from PubChem (CID 176754610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).