1-methyl-5-[[(3S)-3-[(6-methyl-2-pyridinyl)methoxy]piperidin-1-yl]methyl]indazole

C21H26N4O — CID 171347243

IUPAC1-methyl-5-[[(3S)-3-[(6-methyl-2-pyridinyl)methoxy]piperidin-1-yl]methyl]indazole
SMILESCc1cccc(CO[C@H]2CCCN(Cc3ccc4c(cnn4C)c3)C2)n1
InChIInChI=1S/C21H26N4O/c1-16-5-3-6-19(23-16)15-26-20-7-4-10-25(14-20)13-17-8-9-21-18(11-17)12-22-24(21)2/h3,5-6,8-9,11-12,20H,4,7,10,13-15H2,1-2H3/t20-/m0/s1
InChIKeyVCMKCHSDBNMEKX-FQEVSTJZSA-N
MW350.47 g/mol
LogP3.46
Rot. Bonds5

About 1-methyl-5-[[(3S)-3-[(6-methyl-2-pyridinyl)methoxy]piperidin-1-yl]methyl]indazole

1-methyl-5-[[(3S)-3-[(6-methyl-2-pyridinyl)methoxy]piperidin-1-yl]methyl]indazole (PubChem CID 171347243) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-methyl-5-[[(3S)-3-[(6-methyl-2-pyridinyl)methoxy]piperidin-1-yl]methyl]indazole.

Molecular Properties

Compound Name1-methyl-5-[[(3S)-3-[(6-methyl-2-pyridinyl)methoxy]piperidin-1-yl]methyl]indazole
PubChem CID171347243
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1-methyl-5-[[(3S)-3-[(6-methyl-2-pyridinyl)methoxy]piperidin-1-yl]methyl]indazole
SMILESCc1cccc(CO[C@H]2CCCN(Cc3ccc4c(cnn4C)c3)C2)n1
InChIInChI=1S/C21H26N4O/c1-16-5-3-6-19(23-16)15-26-20-7-4-10-25(14-20)13-17-8-9-21-18(11-17)12-22-24(21)2/h3,5-6,8-9,11-12,20H,4,7,10,13-15H2,1-2H3/t20-/m0/s1
InChIKeyVCMKCHSDBNMEKX-FQEVSTJZSA-N
XLogP3.46
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[(3S)-3-[(6-methyl-2-pyridinyl)methoxy]piperidin-1-yl]methyl]indazole?
The IUPAC name of 1-methyl-5-[[(3S)-3-[(6-methyl-2-pyridinyl)methoxy]piperidin-1-yl]methyl]indazole (CID 171347243) is 1-methyl-5-[[(3S)-3-[(6-methyl-2-pyridinyl)methoxy]piperidin-1-yl]methyl]indazole.
What is the SMILES notation for 1-methyl-5-[[(3S)-3-[(6-methyl-2-pyridinyl)methoxy]piperidin-1-yl]methyl]indazole?
The canonical SMILES for 1-methyl-5-[[(3S)-3-[(6-methyl-2-pyridinyl)methoxy]piperidin-1-yl]methyl]indazole is Cc1cccc(CO[C@H]2CCCN(Cc3ccc4c(cnn4C)c3)C2)n1.
What is the InChIKey of 1-methyl-5-[[(3S)-3-[(6-methyl-2-pyridinyl)methoxy]piperidin-1-yl]methyl]indazole?
The InChIKey is VCMKCHSDBNMEKX-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N4O/c1-16-5-3-6-19(23-16)15-26-20-7-4-10-25(14-20)13-17-8-9-21-18(11-17)12-22-24(21)2/h3,5-6,8-9,11-12,20H,4,7,10,13-15H2,1-2H3/t20-/m0/s1.
What are the key properties of 1-methyl-5-[[(3S)-3-[(6-methyl-2-pyridinyl)methoxy]piperidin-1-yl]methyl]indazole?
1-methyl-5-[[(3S)-3-[(6-methyl-2-pyridinyl)methoxy]piperidin-1-yl]methyl]indazole has a molecular weight of 350.47 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[(3S)-3-[(6-methyl-2-pyridinyl)methoxy]piperidin-1-yl]methyl]indazole is sourced from PubChem (CID 171347243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).