1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

C23H25N7O — CID 110237052

IUPAC1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESCc1ccc2[nH]c(C3CCCN(C(=O)CCn4cnnn4)C3)c(-c3ccncc3)c2c1
InChIInChI=1S/C23H25N7O/c1-16-4-5-20-19(13-16)22(17-6-9-24-10-7-17)23(26-20)18-3-2-11-29(14-18)21(31)8-12-30-15-25-27-28-30/h4-7,9-10,13,15,18,26H,2-3,8,11-12,14H2,1H3
InChIKeyYEOUHPBWVUNYFW-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.32
Rot. Bonds5

About 1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (PubChem CID 110237052) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
PubChem CID110237052
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESCc1ccc2[nH]c(C3CCCN(C(=O)CCn4cnnn4)C3)c(-c3ccncc3)c2c1
InChIInChI=1S/C23H25N7O/c1-16-4-5-20-19(13-16)22(17-6-9-24-10-7-17)23(26-20)18-3-2-11-29(14-18)21(31)8-12-30-15-25-27-28-30/h4-7,9-10,13,15,18,26H,2-3,8,11-12,14H2,1H3
InChIKeyYEOUHPBWVUNYFW-UHFFFAOYSA-N
XLogP3.32
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 46960801
1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 92560138
1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride
CID 171666983
3-(2-ethylimidazol-1-yl)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 95856296
1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone
CID 95856126
1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone
CID 51586304
[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95856127
(5-methylfuran-2-yl)-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 110237322
[1-(difluoromethyl)pyrazol-3-yl]-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 46953377
(2S)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 92560117
1-[4-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
CID 110237326
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-[(3R)-3-(5-methyl-3-pyridin-3-yl-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 124827560

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The IUPAC name of 1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (CID 110237052) is 1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is Cc1ccc2[nH]c(C3CCCN(C(=O)CCn4cnnn4)C3)c(-c3ccncc3)c2c1.
What is the InChIKey of 1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The InChIKey is YEOUHPBWVUNYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-16-4-5-20-19(13-16)22(17-6-9-24-10-7-17)23(26-20)18-3-2-11-29(14-18)21(31)8-12-30-15-25-27-28-30/h4-7,9-10,13,15,18,26H,2-3,8,11-12,14H2,1H3.
What are the key properties of 1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one has a molecular weight of 415.50 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 110237052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).