1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone

C27H33N7O — CID 134329847

IUPAC1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)Cn5nnnc5C)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C27H33N7O/c1-16(2)26-23-14-21(6-7-24(23)29-27(26)22-12-17(3)28-18(4)13-22)20-8-10-33(11-9-20)25(35)15-34-19(5)30-31-32-34/h6-7,12-14,16,20,29H,8-11,15H2,1-5H3
InChIKeySUHRIODHZTZOQP-UHFFFAOYSA-N
MW471.61 g/mol
LogP4.67
Rot. Bonds5

About 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone

1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone (PubChem CID 134329847) has the molecular formula C27H33N7O and a molecular weight of 471.61 g/mol. Its IUPAC name is 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone
PubChem CID134329847
Molecular FormulaC27H33N7O
Molecular Weight471.61 g/mol
Exact Mass471.27
IUPAC Name1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)Cn5nnnc5C)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C27H33N7O/c1-16(2)26-23-14-21(6-7-24(23)29-27(26)22-12-17(3)28-18(4)13-22)20-8-10-33(11-9-20)25(35)15-34-19(5)30-31-32-34/h6-7,12-14,16,20,29H,8-11,15H2,1-5H3
InChIKeySUHRIODHZTZOQP-UHFFFAOYSA-N
XLogP4.67
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone with MolForge

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Related Compounds

Afimetoran
CID 132271862
2-amino-N-[(1R)-1-{4-[(4-ethylphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]acetamide
CID 23648232
2-amino-N-[(1R)-1-[4-(4-ethylphenyl)-5-[2-(1H-indol-3-yl)ethyl]-4H-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]acetamide
CID 23648235
N-[4-(2-{4-[3-(5-[1,2,4]Triazol-4-yl-1H-indol-3-yl)-propyl]-piperazin-1-yl}-ethyl)-phenyl]-acetamide
CID 10838153
(R)-2-amino-N-(1-(5-benzyl-4-(pyridin-2-ylmethyl)-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-methylpropanamide
CID 16114183
(R)-2-amino-N-(1-(5-benzyl-4-phenethyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-methylpropanamide
CID 16204131
2-amino-N-[(1R)-1-(4,5-dibenzyl-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 16204145
2-amino-N-((R)-1-(5-benzyl-4-hexyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-methylpropanamide
CID 16204226
(R)-2-amino-N-(1-(5-phenethyl-4-(pyridin-2-ylmethyl)-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-methylpropanamide
CID 16204433
US10071079, Example 627
CID 132272479
US10071079, Example 642
CID 132272490
US10071079, Example 641
CID 132272497

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone?
The IUPAC name of 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone (CID 134329847) is 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone is Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)Cn5nnnc5C)CC4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone?
The InChIKey is SUHRIODHZTZOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O/c1-16(2)26-23-14-21(6-7-24(23)29-27(26)22-12-17(3)28-18(4)13-22)20-8-10-33(11-9-20)25(35)15-34-19(5)30-31-32-34/h6-7,12-14,16,20,29H,8-11,15H2,1-5H3.
What are the key properties of 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone?
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone has a molecular weight of 471.61 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone is sourced from PubChem (CID 134329847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).