1-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

C23H25N7O — CID 46960801

IUPAC1-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESCc1cccc2c(-c3ccncc3)c(C3CCCN(C(=O)CCn4cnnn4)C3)[nH]c12
InChIInChI=1S/C23H25N7O/c1-16-4-2-6-19-21(17-7-10-24-11-8-17)23(26-22(16)19)18-5-3-12-29(14-18)20(31)9-13-30-15-25-27-28-30/h2,4,6-8,10-11,15,18,26H,3,5,9,12-14H2,1H3
InChIKeyNXZYVPIBSXSZQJ-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.32
Rot. Bonds5

About 1-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

1-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (PubChem CID 46960801) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 1-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
PubChem CID46960801
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name1-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESCc1cccc2c(-c3ccncc3)c(C3CCCN(C(=O)CCn4cnnn4)C3)[nH]c12
InChIInChI=1S/C23H25N7O/c1-16-4-2-6-19-21(17-7-10-24-11-8-17)23(26-22(16)19)18-5-3-12-29(14-18)20(31)9-13-30-15-25-27-28-30/h2,4,6-8,10-11,15,18,26H,3,5,9,12-14H2,1H3
InChIKeyNXZYVPIBSXSZQJ-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-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 110237052
(2S)-1-[(3R)-3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 51586753
1-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 70756873
1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 97117065
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
2-pyridin-2-yl-1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 110236867
1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 72882886
1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 70768103
1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone
CID 95856126
N,N-dimethyl-3-[1-[3-(tetrazol-1-yl)propanoyl]pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 110251166

Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-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-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (CID 46960801) is 1-[3-(7-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-(7-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-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is Cc1cccc2c(-c3ccncc3)c(C3CCCN(C(=O)CCn4cnnn4)C3)[nH]c12.
What is the InChIKey of 1-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The InChIKey is NXZYVPIBSXSZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-16-4-2-6-19-21(17-7-10-24-11-8-17)23(26-22(16)19)18-5-3-12-29(14-18)20(31)9-13-30-15-25-27-28-30/h2,4,6-8,10-11,15,18,26H,3,5,9,12-14H2,1H3.
What are the key properties of 1-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
1-[3-(7-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-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 46960801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).