2-methyl-3-[1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

C18H22N6 — CID 99828788

IUPAC2-methyl-3-[1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCc1[nH]c2ccccc2c1C1=CCN([C@H](C)c2nnnn2C)CC1
InChIInChI=1S/C18H22N6/c1-12-17(15-6-4-5-7-16(15)19-12)14-8-10-24(11-9-14)13(2)18-20-21-22-23(18)3/h4-8,13,19H,9-11H2,1-3H3/t13-/m1/s1
InChIKeyUJGGDZMCGZRCHO-CYBMUJFWSA-N
MW322.42 g/mol
LogP2.85
Rot. Bonds3

About 2-methyl-3-[1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

2-methyl-3-[1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 99828788) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-methyl-3-[1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name2-methyl-3-[1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID99828788
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name2-methyl-3-[1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCc1[nH]c2ccccc2c1C1=CCN([C@H](C)c2nnnn2C)CC1
InChIInChI=1S/C18H22N6/c1-12-17(15-6-4-5-7-16(15)19-12)14-8-10-24(11-9-14)13(2)18-20-21-22-23(18)3/h4-8,13,19H,9-11H2,1-3H3/t13-/m1/s1
InChIKeyUJGGDZMCGZRCHO-CYBMUJFWSA-N
XLogP2.85
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 2-methyl-3-[1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 99828788) is 2-methyl-3-[1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.
What is the SMILES notation for 2-methyl-3-[1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 2-methyl-3-[1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is Cc1[nH]c2ccccc2c1C1=CCN([C@H](C)c2nnnn2C)CC1.
What is the InChIKey of 2-methyl-3-[1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is UJGGDZMCGZRCHO-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N6/c1-12-17(15-6-4-5-7-16(15)19-12)14-8-10-24(11-9-14)13(2)18-20-21-22-23(18)3/h4-8,13,19H,9-11H2,1-3H3/t13-/m1/s1.
What are the key properties of 2-methyl-3-[1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
2-methyl-3-[1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole has a molecular weight of 322.42 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 99828788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).