2-[(3R)-1-methylpyrrolidin-3-yl]-6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]indazole

C18H24N4 — CID 169112756

IUPAC2-[(3R)-1-methylpyrrolidin-3-yl]-6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]indazole
SMILESC[C@H]1CCC(c2ccc3cn([C@@H]4CCN(C)C4)nc3c2)=NC1
InChIInChI=1S/C18H24N4/c1-13-3-6-17(19-10-13)14-4-5-15-11-22(20-18(15)9-14)16-7-8-21(2)12-16/h4-5,9,11,13,16H,3,6-8,10,12H2,1-2H3/t13-,16+/m0/s1
InChIKeyQYBDJDHMZFWAKR-XJKSGUPXSA-N
MW296.42 g/mol
LogP3.13
Rot. Bonds2

About 2-[(3R)-1-methylpyrrolidin-3-yl]-6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]indazole

2-[(3R)-1-methylpyrrolidin-3-yl]-6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]indazole (PubChem CID 169112756) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[(3R)-1-methylpyrrolidin-3-yl]-6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]indazole.

Molecular Properties

Compound Name2-[(3R)-1-methylpyrrolidin-3-yl]-6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]indazole
PubChem CID169112756
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2-[(3R)-1-methylpyrrolidin-3-yl]-6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]indazole
SMILESC[C@H]1CCC(c2ccc3cn([C@@H]4CCN(C)C4)nc3c2)=NC1
InChIInChI=1S/C18H24N4/c1-13-3-6-17(19-10-13)14-4-5-15-11-22(20-18(15)9-14)16-7-8-21(2)12-16/h4-5,9,11,13,16H,3,6-8,10,12H2,1-2H3/t13-,16+/m0/s1
InChIKeyQYBDJDHMZFWAKR-XJKSGUPXSA-N
XLogP3.13
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-methylpyrrolidin-3-yl]-6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]indazole?
The IUPAC name of 2-[(3R)-1-methylpyrrolidin-3-yl]-6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]indazole (CID 169112756) is 2-[(3R)-1-methylpyrrolidin-3-yl]-6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]indazole.
What is the SMILES notation for 2-[(3R)-1-methylpyrrolidin-3-yl]-6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]indazole?
The canonical SMILES for 2-[(3R)-1-methylpyrrolidin-3-yl]-6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]indazole is C[C@H]1CCC(c2ccc3cn([C@@H]4CCN(C)C4)nc3c2)=NC1.
What is the InChIKey of 2-[(3R)-1-methylpyrrolidin-3-yl]-6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]indazole?
The InChIKey is QYBDJDHMZFWAKR-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H24N4/c1-13-3-6-17(19-10-13)14-4-5-15-11-22(20-18(15)9-14)16-7-8-21(2)12-16/h4-5,9,11,13,16H,3,6-8,10,12H2,1-2H3/t13-,16+/m0/s1.
What are the key properties of 2-[(3R)-1-methylpyrrolidin-3-yl]-6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]indazole?
2-[(3R)-1-methylpyrrolidin-3-yl]-6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]indazole has a molecular weight of 296.42 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-methylpyrrolidin-3-yl]-6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]indazole is sourced from PubChem (CID 169112756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).