methyl (7R)-3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-7-carboxylate

C11H11N5O2 — CID 124584612

IUPACmethyl (7R)-3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-7-carboxylate
SMILESCOC(=O)[C@@H]1CCc2cc(-n3cnnn3)ncc21
InChIInChI=1S/C11H11N5O2/c1-18-11(17)8-3-2-7-4-10(12-5-9(7)8)16-6-13-14-15-16/h4-6,8H,2-3H2,1H3/t8-/m1/s1
InChIKeyZGSDOLPHCIEKRK-MRVPVSSYSA-N
MW245.24 g/mol
LogP0.26
Rot. Bonds2

About methyl (7R)-3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-7-carboxylate

methyl (7R)-3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-7-carboxylate (PubChem CID 124584612) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is methyl (7R)-3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl (7R)-3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-7-carboxylate
PubChem CID124584612
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Namemethyl (7R)-3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-7-carboxylate
SMILESCOC(=O)[C@@H]1CCc2cc(-n3cnnn3)ncc21
InChIInChI=1S/C11H11N5O2/c1-18-11(17)8-3-2-7-4-10(12-5-9(7)8)16-6-13-14-15-16/h4-6,8H,2-3H2,1H3/t8-/m1/s1
InChIKeyZGSDOLPHCIEKRK-MRVPVSSYSA-N
XLogP0.26
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-[3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]methanone
CID 69087479
(3S)-3-methyl-6-[2-[4-[3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-7-carbonyl]piperazin-1-yl]ethyl]-3,4-dihydroisochromen-1-one
CID 69087527
ethyl 3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxylate
CID 86727108
4-methyl-5-[2-[3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-7-carbonyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-7-yl]-3H-2-benzofuran-1-one
CID 123973010
3-[(3S,9aS)-8-[3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-7-carbonyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-3-yl]-2,6-difluorobenzonitrile
CID 90297948
methyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylate
CID 119053655
5-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid;methyl 5-hydroxy-2,3-dihydro-1H-indene-1-carboxylate
CID 161190544
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146038319
N-[(3S,4R)-3-methoxypiperidin-4-yl]-6-(tetrazol-1-yl)pyridine-3-carboxamide
CID 118459884
2-cyclopropyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]pyrimidine-5-carboxamide
CID 131896599
methyl 1-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]piperidine-4-carboxylate
CID 7768488
N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(tetrazol-1-yl)benzamide
CID 95740937

Frequently Asked Questions

What is the IUPAC name of methyl (7R)-3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-7-carboxylate?
The IUPAC name of methyl (7R)-3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-7-carboxylate (CID 124584612) is methyl (7R)-3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-7-carboxylate.
What is the SMILES notation for methyl (7R)-3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-7-carboxylate?
The canonical SMILES for methyl (7R)-3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-7-carboxylate is COC(=O)[C@@H]1CCc2cc(-n3cnnn3)ncc21.
What is the InChIKey of methyl (7R)-3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-7-carboxylate?
The InChIKey is ZGSDOLPHCIEKRK-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-18-11(17)8-3-2-7-4-10(12-5-9(7)8)16-6-13-14-15-16/h4-6,8H,2-3H2,1H3/t8-/m1/s1.
What are the key properties of methyl (7R)-3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-7-carboxylate?
methyl (7R)-3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-7-carboxylate has a molecular weight of 245.24 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7R)-3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-7-carboxylate is sourced from PubChem (CID 124584612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).